CURDLAN (CED0004964)

Record Information

Version

1.0

Creation Date

2016-05-19 01:59:31 UTC

Update Date

2026-04-05 11:42:28 UTC

Accession Number

CHEM005235

Identification

Common Name

CURDLAN

Class

Small Molecule

Description

CURDLAN is an organic compound with the chemical formula C6H12O6 and an average molecular weight of 180.16 g/mol. CURDLAN belongs to the carbohydrates and carbohydrate conjugates, a subclass of organooxygen compounds within the organic compounds. In industrial applications, this compound serves as a thickening agent and is used as a processing aid not otherwise specified. CURDLAN is found in or released from 25 recorded sources across various sectors. Within food, food processing and cookware, it is associated with the preparation of malt, fermentation processes for beer, molasses and treatment of molasses, agglomerated sugar products, and cellar tools, among six other sources. In the category of electrical and electronic equipment, it is found in magnets, antennas, communication cables or conductors, line transmission systems, and electric switches, along with two additional sources. Furthermore, it is released from household cleaning and consumer products, including soap dispensers, cigar cigarettes, non electric simulated smoking devices, pipe accessories, other smoking requisites, and two other sources.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
WURCS=2.0/1,1,0/[a2122h-1b_1-5]/1/	ChEBI
beta-D-Glucopyranose	Kegg
b-D-Glucopyranose	Generator
Glucose	ChEMBL, HMDB
b-D-Glucose	Generator
β-D-glucose	Generator
b-Dextrose	HMDB
b-Glucose	HMDB
beta-Dextrose	HMDB
beta-Glucose	HMDB
D Glucose	MeSH, HMDB
Glucose, (beta-D)-isomer	MeSH, HMDB
Dextrose	MeSH, HMDB
Glucose, (DL)-isomer	MeSH, HMDB
D-Glucose	MeSH, HMDB
D-Glucopyranose	HMDB
D-Glucopyranoside	HMDB
beta-D-Glucopyranoside	HMDB
beta-D-Glucose	HMDB
β-D-Glucopyranoside	HMDB
β-D-Glucose	HMDB
β-Dextrose	HMDB
β-Glucose	HMDB
D-GLC	HMDB
D-GLCP	HMDB
GLC-OH	HMDB

Chemical Formula

C₆H₁₂O₆

Average Molecular Mass

180.156 g/mol

Monoisotopic Mass

180.063 g/mol

CAS Registry Number

54724-00-4

IUPAC Name

(2R,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol

Traditional Name

glucoside

SMILES

OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O

InChI Identifier

InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1

InChI Key

WQZGKKKJIJFFOK-VFUOTHLCSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as hexoses. These are monosaccharides in which the sugar unit is a is a six-carbon containing moeity.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Hexoses

Alternative Parents

Substituents

Hexose monosaccharide
Oxane
Secondary alcohol
Hemiacetal
Oxacycle
Organoheterocyclic compound
Polyol
Hydrocarbon derivative
Primary alcohol
Alcohol
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

D-glucopyranose (CHEBI:15903 )

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Property	Value	Source
Water Solubility	782 g/L	ALOGPS
logP	-2.6	ALOGPS
logP	-2.9	ChemAxon
logS	0.64	ALOGPS
pKa (Strongest Acidic)	11.3	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	110.38 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	35.92 m³·mol⁻¹	ChemAxon
Polarizability	16.35 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
GC-MS	GC-MS Spectrum	splash10-00di-9721000000-6ca4df9ac892160d11c5	Not Available	View Spectrum
GC-MS	GC-MS Spectrum	splash10-00di-9621000000-fff85ff382393ec04a54	Not Available	View Spectrum
GC-MS	GC-MS Spectrum	splash10-00di-9721000000-6ca4df9ac892160d11c5	Not Available	View Spectrum
GC-MS	GC-MS Spectrum	splash10-00di-9621000000-fff85ff382393ec04a54	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	splash10-0np0-9700000000-e8d638dc817e46b97d7b	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	splash10-004i-6122690000-eaf6f7adf34ccd0c667b	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0002-9300000000-839f41cf94a071fcdb37	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0002-9000000000-807f75d14f3d0b66f5bd	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000t-9000000000-b89668f86992a8363664	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-7900000000-9a673c2e4b82ca397421	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0a4r-9100000000-b70415588e768ddce5ef	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0a4i-9000000000-73dc84dd88d8ae69fe02	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0a4i-9000000000-ba39d4ed9431a1d01eab	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0a4i-9000000000-a61efd1469735758b317	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-7900000000-9a673c2e4b82ca397421	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0a4r-9100000000-9c25b149885d8a48aab5	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0a4i-9000000000-76d92ea96364c24ecfb0	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0a4i-9000000000-ba39d4ed9431a1d01eab	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0a4i-9000000000-a61efd1469735758b317	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-03di-0900000000-c44bda60a6fcba163df3	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-03di-0900000000-2d4fcc06b5f1a548e0ac	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-03dj-1900000000-d66ef20973a9aed890d5	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-01ot-2900000000-f15e86af30f3065466a8	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000b-4900000000-2a9008fcc11325c7a3fe	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000b-7900000000-afd4ac776eb4bedb6bff	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000j-9700000000-394bb6f6163ff53c203a	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-9400000000-afcfe7141c6578d96206	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-9300000000-011aa587ff83208ceaa6	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-9200000000-8d13450ee922cef5d173	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-9200000000-ba587aac166359ffc7d5	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-9100000000-e62915efe3ed02f208b6	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-9100000000-363042ac7efc049eb980	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-9000000000-257b433820cb49385c5e	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-9000000000-bc4c6dd000562ed412d2	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-9000000000-0050ab143a8fd79931f7	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-9000000000-03f93659d5f34f8950b6	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-00kr-9000000000-d91f7c1a5260120457c8	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-00kr-9000000000-e3f5690e170269eb04c0	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-00kr-9000000000-7ab14422d0ed9601d79b	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0090000000-a55b35e2e2dd0d13c62d	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0090000000-ee9418706dad23e4ffa2	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0090000000-faad39e1d075a70b7d97	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-1090000000-6e32dc980641d9a5c8e5	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-2090000000-58d2c0d71962861c2868	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-4090000000-523e02998a48962104a5	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0uk9-6090000000-a53aed13c16966985b88	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0fk9-9080000000-e9c7e1b65a1a1b4835ec	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0fk9-9060000000-92ec35190aed2446eb3f	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-00di-9030000000-7c5f33aa0219809c585e	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-00di-9030000000-97c5bc88603d59976071	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-0900000000-035cd70534037fe54ac4	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-0900000000-6ffa3095b8cc453b92b1	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-0900000000-86ef765984af8069e1f0	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-0900000000-bc158443561f6ced30fb	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-0900000000-faae55bd2537334f894f	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-01q9-0900000000-dd1cc40891053d3cfff0	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-01qa-2900000000-90e87f2ecc297cec50c5	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-01pt-3900000000-1afb955d1e0212076939	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-01p2-5900000000-b23b93be80eb4e94bf9e	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-01pa-8900000000-89397013ba9e52278b44	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000j-9600000000-1ad9ceaddec645f80c11	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000j-9400000000-c6cc148112e20b37c31c	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000j-9300000000-c5d5002a5e3ee80ae7e1	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-9200000000-4d18468a293e797c759a	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-9100000000-8ff912aa159d8e9738e8	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-9100000000-2c034e30af3e17456335	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-9000000000-b11652f4c37df3f54e4e	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-9000000000-d89b8b72d7e379438c93	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0002-0900000000-2a5bd2e88f8c45e8bd95	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0002-0900000000-f9413f2448800c63e00e	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0002-0900000000-1a3a6ca0a3260da9e5e7	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0002-0900000000-d3fba36dab9c2d13c04c	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0002-0900000000-9c1ab5b818d4d2ae9af5	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0002-0900000000-4dba3c9088e75c1830d3	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-01pk-0900000000-d791dd7aef0e40b37bcb	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-01ot-0900000000-b4be094b34228de68bb1	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-01ot-1900000000-458e18ef6b7c017205ee	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-01p2-3900000000-70d42acf9898832f4f98	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000b-5900000000-3beabc0635767a2bc726	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000b-7900000000-72b396cc408bca674f6e	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000j-9700000000-4a5ba4df78a916141869	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000j-9500000000-22a06ad09ec2f1d03a19	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000j-9400000000-e674916c8e3c92b4786a	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-9200000000-375e61122ca77b6b4df9	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-9200000000-ae8bf75ff20bdce82c42	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-9100000000-fe095bc9a116985c0fb6	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-0009000000-9390d6ad9b4dc500f78b	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-0009000000-0f79e0518394debea798	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-0009000000-10a51a12ce17f9acc967	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-0019000000-6c1554bc46d65b650d79	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0f89-0049000000-11c8948a26e6622098c6	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0ue9-0097000000-def3cb83a94e21172cd2	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0093000000-2d7ab7e4b011ce934940	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0091000000-3e2e3f473316fa865b4a	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0090000000-5bb405e68cd684e93564	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0090000000-eb72ccbf38b2721b6884	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0090000000-a2d557914f3366eadd25	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0090000000-ecc3080079815f993731	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0090000000-ecc3080079815f993731	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0090000000-c066ffb850837582a2b1	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0090000000-c066ffb850837582a2b1	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0090000000-c066ffb850837582a2b1	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0090000000-c066ffb850837582a2b1	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0090000000-c066ffb850837582a2b1	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0090000000-c066ffb850837582a2b1	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0090000000-91229fa5cf4a9ed2638a	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-0900000000-d599da39e99cc83f7563	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000f-0900000000-422c64156a405755016a	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-01q9-0900000000-ecd0aedc67c9a2eec60f	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-03ea-2900000000-e4daf22c7320ccc41812	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0005-9200000000-91fc3940732f782a88bb	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-004i-1900000000-e9f3e728d1b340759a09	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-01t9-5900000000-c0a478f2b9c5bbc6c4ba	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0006-9100000000-06852e2088bf1c6b38c4	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-01qa-0900000000-04ceb34d441ff6a75763	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-03dl-9400000000-a8f1ceab155611f949c1	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-01ow-9000000000-358f68fc2b7a72c27546	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-004i-2900000000-2448926b508622464fe7	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-056r-8900000000-4c073cb93b78120113e6	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4l-9000000000-ece70093ab5d3c331ac4	Not Available	View Spectrum
MS	MS Spectrum	splash10-03kc-9000000000-a60df7b043f8947d6909	Not Available	View Spectrum
1D NMR	¹H NMR Spectrum (1D, D₂O, predicted)	Not Available	Not Available	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, D₂O, predicted)	Not Available	Not Available	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, H₂O, experimental)	Not Available	Not Available	View Spectrum
1D NMR	¹H NMR Spectrum (1D, H₂O, experimental)	Not Available	Not Available	View Spectrum

Toxicity Profile

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
6013.0	Log mg/kg	[3400:11000]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
233	Brushes	Personal care & cosmetics	Not Available
506	Antennas	Electrical & Electronic Equipment	Not Available
510	Communication Cables Or Conductors	Electrical & Electronic Equipment	Not Available
517	Electric Switches	Electrical & Electronic Equipment	Not Available
525	Line Transmission Systems	Electrical & Electronic Equipment	Not Available
527	Magnets	Electrical & Electronic Equipment	Not Available
530	Radio Transmission Systems	Electrical & Electronic Equipment	Not Available
537	Television Systems	Electrical & Electronic Equipment	Not Available
541	Agglomerated Sugar Products	Food, food processing & cookware	Not Available
543	Cellar Tools	Food, food processing & cookware	Not Available
544	Fermentation Processes For Beer	Food, food processing & cookware	Not Available
546	Molasses And Treatment Of Molasses	Food, food processing & cookware	Not Available
547	Preparation Of Malt	Food, food processing & cookware	Not Available
548	Preparation Of Vinegar	Food, food processing & cookware	Not Available
549	Preparation Of Wine Or Sparkling Wine	Food, food processing & cookware	Not Available
550	Preparation Of Wort	Food, food processing & cookware	Not Available
551	Processing Fish	Food, food processing & cookware	Not Available
552	Processing Meats	Food, food processing & cookware	Not Available
553	Treatment Of Hops	Food, food processing & cookware	Not Available
556	Cigar Cigarettes	Household cleaning & consumer products	Not Available
559	Non Electric Simulated Smoking Devices	Household cleaning & consumer products	Not Available
560	Other Smoking Requisites	Household cleaning & consumer products	Not Available
562	Pipe Accessories	Household cleaning & consumer products	Not Available
564	Soap Dispensers	Household cleaning & consumer products	Not Available
566	Tobacco Pipes	Household cleaning & consumer products	Not Available
567	Tobacco Product Cases	Household cleaning & consumer products	Not Available
578	Making Cigars	Industrial manufacturing & chemical processing	Not Available
579	Manufacture Of Iron Or Steel	Industrial manufacturing & chemical processing	Not Available
581	Paper Making Machines	Industrial manufacturing & chemical processing	Not Available
584	Buoys	Marine, shipping & aquaculture	Not Available
592	Marine Propulsion Or Steering	Marine, shipping & aquaculture	Not Available
597	Chemosterilants	Agriculture & land management	Not Available
598	Fertiliser Distributors	Agriculture & land management	Not Available
602	Molluscicides	Agriculture & land management	Not Available
604	Pest Attractants	Agriculture & land management	Not Available
607	Rodenticides(1)	Agriculture & land management	Not Available
608	Rodenticides	Agriculture & land management	Not Available
612	Body Washing Or Cleaning Implements	Personal care & cosmetics	Not Available
613	Depilatories	Personal care & cosmetics	Not Available
616	Face Mask Cosmetics	Personal care & cosmetics	Not Available
619	Manicure Pedicure	Personal care & cosmetics	Not Available
620	Card Games	Recreation & sports surfaces	Not Available
630	Toys	Recreation & sports surfaces	Not Available
631	Anthraquinone Dyes	Textiles, leather & furnishings	Not Available
633	Azo Dyes	Textiles, leather & furnishings	Not Available
638	Decorating Textiles	Textiles, leather & furnishings	Not Available
639	Degreasing Leather	Textiles, leather & furnishings	Not Available
641	Foam Dyeing	Textiles, leather & furnishings	Not Available
643	Headwear	Textiles, leather & furnishings	Not Available
645	Inorganic Fibres	Textiles, leather & furnishings	Not Available
648	Nitro Dyes	Textiles, leather & furnishings	Not Available
650	Purses Luggage Hand Bags	Textiles, leather & furnishings	Not Available
655	Slide Fasteners	Textiles, leather & furnishings	Not Available
657	Surface Finishing Of Leather	Textiles, leather & furnishings	Not Available
658	Touch Fasteners	Textiles, leather & furnishings	Not Available
659	Transfer Printing	Textiles, leather & furnishings	Not Available

Pathways

21 pathways

Glycolysis

Gluconeogenesis

Trehalose Degradation

Glycogen Storage Disease Type 1A (GSD1A) or Von Gierke Disease

Glycogenosis, Type VII. Tarui Disease

Phosphoenolpyruvate Carboxykinase Deficiency 1 (PEPCK1)

Fructose-1,6-diphosphatase Deficiency

Triosephosphate Isomerase Deficiency

Fanconi-Bickel Syndrome

Glycogenosis, Type IB

Glycogenosis, Type IC

Glycogenosis, Type IA. Von Gierke Disease

View all 21 pathways

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Lectin	B4EH87	Burkholderia cenocepacia (strain ATCC BAA-245 / DSM 16553 / LMG 16656/ NCTC 13227 / J2315 / CF5610) (Burkholderia cepacia (strain J2315))	Predicted (SEA)	0.0778492
Click to view 3D structure	Type 1 fimbrin D-mannose specific adhesin	P08191	Escherichia coli K-12	Predicted (SEA)	0.0778492
Click to view 3D structure	Lysosomal alpha-glucosidase	Q6P7A9	Rattus norvegicus	Predicted (SEA)	2.49118
Click to view 3D structure	Neutral alpha-glucosidase C	Q8TET4	Humans	Predicted (SEA)	0.934191
Click to view 3D structure	Alpha-galactosidase A	D3ZJF9	Rattus norvegicus	Predicted (SEA)	0.934191
Click to view 3D structure	Oligo-1,6-glucosidase IMA1	P53051	Saccharomyces cerevisiae S288c	Predicted (SEA)	1.86838
Click to view 3D structure	Cytidine deaminase	P56389	Mus musculus	Predicted (SEA)	4.51525
Click to view 3D structure	Cytidine deaminase	P32320	Humans	Predicted (SEA)	1.86838
Click to view 3D structure	PA-I galactophilic lectin	Q05097	Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG12228)	Predicted (SEA)	0.934191
Click to view 3D structure	Maltase-glucoamylase	O43451	Humans	Predicted (SEA)	3.26967
Click to view 3D structure	CD44 antigen	P16070	Humans	Predicted (SEA)	1.40129
Click to view 3D structure	CD44 antigen	P15379	Mus musculus	Predicted (SEA)	1.40129
Click to view 3D structure	Solute carrier family 28 member 3	Q9HAS3	Humans	Predicted (SEA)	11.7552
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	226.93
Click to view 3D structure	Sucrase-isomaltase, intestinal	P23739	Rattus norvegicus	Predicted (SEA)	4.20386
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	179.209
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	334.207
Click to view 3D structure	Adenosine receptor A1	P30542	Humans	Predicted (SEA)	178.197
Click to view 3D structure	Adenosine deaminase	P56658	Bos taurus	Predicted (SEA)	22.3427
Click to view 3D structure	Adenosine receptor A3	P0DMS8	Humans	Predicted (SEA)	254.567
Click to view 3D structure	Adenosine receptor A1	P25099	Rattus norvegicus	Predicted (SEA)	157.956
Click to view 3D structure	Adenosine receptor A2a	P30543	Rattus norvegicus	Predicted (SEA)	146.59
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	397.42
Click to view 3D structure	Adenosine receptor A3	P28647	Rattus norvegicus	Predicted (SEA)	76.4479
Click to view 3D structure	Adenosine kinase	A5U4N0	Mycobacterium tuberculosis (strain ATCC 25177 / H37Ra)	Predicted (SEA)	25.7681