1,5-Dideoxy-1,5-iminogalactitol (CED0051530)

Record Information

Version

1.0

Creation Date

2026-04-06 12:16:34 UTC

Update Date

2026-05-14 18:12:15 UTC

SynCED ID

CED0051530

Secondary Accession Numbers

CHEM124210

Identification

Common Name

1,5-Dideoxy-1,5-iminogalactitol

Class

Small Molecule

Description

1,5-Dideoxy-1,5-iminogalactitol belongs to the piperidines, a class of organoheterocyclic compounds within the organic compounds. This compound has the formula C6H13N1O4 and an average molecular weight of 163.17 g/mol. It is found in or released from healthcare, pharmaceuticals, and veterinary products, specifically those related to alimentary tract and metabolism products, with oral exposure being the recorded route. Regarding its biological activity, 1,5-Dideoxy-1,5-iminogalactitol is associated with one recorded protein target, providing stabilization of Alpha-galactosidase A (GLA).

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₆H₁₃N₁O₄

Average Molecular Mass

163.172 g/mol

Monoisotopic Mass

163.084 g/mol

CAS Registry Number

108147-54-2

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

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

InChI Identifier

InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5+,6-/m1/s1

InChI Key

LXBIFEVIBLOUGU-DPYQTVNSSA-N

Chemical Taxonomy

Classification

Not classified

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

Not Available

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum	splash10-0feb-7900000000-536465f5fd772045b134	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-01ot-0900000000-1aa3b43d5d62c90ccec7	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-002b-1900000000-6ef4261b9d4ed14a1746	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-056r-9500000000-2fa2710d2d9b3ef5535d	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-03di-0900000000-38feb13cf90cc926e8b8	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-03ec-1900000000-037cddc0c0bea31e7736	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-006x-9100000000-906240cbc58537e93cbd	Not Available	View Spectrum

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
5115.0 Log mg/kg [2900:9100]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Description	Reference
Fabry disease	Not Available	Not Available	Not Available	PMC6631974 , PMC9814271

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000272	Alimentary tract and metabolism products?Alimentary tract and metabolism products refer to the substances produced during the digestion and metabolic processes of organisms.	Healthcare, pharmaceuticals & veterinary products	Not Available
CEDs000518	Electrically Stimulated Smoking Devices?Electrically stimulated smoking devices, commonly known as e-cigarettes or vape pens, utilize electrical components to heat a liquid solution, often containing nicotine, flavorings, and other additives, to produce an aerosol for inhalation.	Electrical & Electronic Equipment	PubChem

Pathways

0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Alpha-galactosidase C	Q9UUZ4	Aspergillus niger	Predicted (SEA)	Prediction Confidence Score 1.0 Applicability Domain 1.0 Statistical Significance 1.00e-05 Supporting Reference Compounds 1 E-value 0.0778492
Click to view 3D structure	Sucrase-isomaltase, intestinal	P23739	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.738 Applicability Domain 1.0 Statistical Significance 2.00e-05 Supporting Reference Compounds 25 E-value 0.155698
Click to view 3D structure	Lysosomal alpha-glucosidase	P10253	Humans	Predicted (SEA)	Prediction Confidence Score 0.726 Applicability Domain 1.0 Statistical Significance 3.00e-05 Supporting Reference Compounds 21 E-value 0.233548
Click to view 3D structure	Glycogen debranching enzyme	P35573	Humans	Predicted (SEA)	Prediction Confidence Score 0.72 Applicability Domain 1.0 Statistical Significance 1.00e-05 Supporting Reference Compounds 8 E-value 0.0778492
Click to view 3D structure	Sucrase-isomaltase, intestinal	P14410	Humans	Predicted (SEA)	Prediction Confidence Score 0.683 Applicability Domain 1.0 Statistical Significance 3.00e-05 Supporting Reference Compounds 14 E-value 0.233548
Click to view 3D structure	Maltase-glucoamylase	O43451	Humans	Predicted (SEA)	Prediction Confidence Score 0.675 Applicability Domain 1.0 Statistical Significance 4.00e-05 Supporting Reference Compounds 30 E-value 0.311397
Click to view 3D structure	Alpha-glucosidase MAL62	P07265	Saccharomyces cerevisiae	Predicted (SEA)	Prediction Confidence Score 0.668 Applicability Domain 0.857 Statistical Significance 2.00e-05 Supporting Reference Compounds 2 E-value 0.155698
Click to view 3D structure	Lysosomal alpha-glucosidase	Q6P7A9	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.646 Applicability Domain 1.0 Statistical Significance 4.00e-05 Supporting Reference Compounds 21 E-value 0.311397
Click to view 3D structure	Glucoamylase, intracellular sporulation-specific	P08019	Saccharomyces cerevisiae S288c	Predicted (SEA)	Prediction Confidence Score 0.632 Applicability Domain 0.857 Statistical Significance 1.00e-05 Supporting Reference Compounds 2 E-value 0.0778492
Click to view 3D structure	Neutral alpha-glucosidase C	Q8BVW0	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.629 Applicability Domain 1.0 Statistical Significance 1.00e-05 Supporting Reference Compounds 4 E-value 0.0778492
Click to view 3D structure	Uncharacterized protein	I3LIR5	Sus scrofa	Predicted (SEA)	Prediction Confidence Score 0.6 Applicability Domain 0.857 Statistical Significance 1.00e-05 Supporting Reference Compounds 2 E-value 0.0778492
Click to view 3D structure	Alpha-galactosidase	Q42656	Coffea arabica	Predicted (SEA)	Prediction Confidence Score 0.595 Applicability Domain 1.0 Statistical Significance 1.00e-05 Supporting Reference Compounds 12 E-value 0.0778492
Click to view 3D structure	Alpha-glucosidase	Q9LGC6	Oryza sativa Japonica Group	Predicted (SEA)	Prediction Confidence Score 0.565 Applicability Domain 1.0 Statistical Significance 1.00e-05 Supporting Reference Compounds 5 E-value 0.0778492
Click to view 3D structure	Lysosomal acid glucosylceramidase	P04062	Humans	Predicted (SEA)	Prediction Confidence Score 0.528 Applicability Domain 1.0 Statistical Significance 1.10e-04 Supporting Reference Compounds 35 E-value 0.856341
Click to view 3D structure	IAG-nucleoside hydrolase	Q9GPQ4	Trypanosoma vivax	Predicted (SEA)	Prediction Confidence Score 0.524 Applicability Domain 0.857 Statistical Significance 1.00e-05 Supporting Reference Compounds 2 E-value 0.0778492
Click to view 3D structure	Beta-glucosidase	Q43014	Prunus avium	Predicted (SEA)	Prediction Confidence Score 0.52 Applicability Domain 1.0 Statistical Significance 1.00e-05 Supporting Reference Compounds 2 E-value 0.0778492
Click to view 3D structure	Glycogen debranching enzyme	P35574	Oryctolagus cuniculus	Predicted (SEA)	Prediction Confidence Score 0.509 Applicability Domain 1.0 Statistical Significance 1.00e-05 Supporting Reference Compounds 5 E-value 0.0778492
Click to view 3D structure	Tissue alpha-L-fucosidase	P04066	Humans	Predicted (SEA)	Prediction Confidence Score 0.509 Applicability Domain 1.0 Statistical Significance 1.00e-05 Supporting Reference Compounds 8 E-value 0.0778492
Click to view 3D structure	Beta-galactosidase	D3ZUM4	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.498 Applicability Domain 0.519 Statistical Significance 4.00e-05 Supporting Reference Compounds 2 E-value 0.311397
Click to view 3D structure	Alpha-galactosidase A	P06280	Humans	Predicted (SEA)	Prediction Confidence Score 0.489 Applicability Domain 1.0 Statistical Significance 1.00e-05 Supporting Reference Compounds 5 E-value 0.0778492
Click to view 3D structure	Glycogen phosphorylase, muscle form	P00489	Oryctolagus cuniculus	Predicted (SEA)	Prediction Confidence Score 0.486 Applicability Domain 0.857 Statistical Significance 1.00e-05 Supporting Reference Compounds 13 E-value 0.0778492
Click to view 3D structure	Beta-hexosaminidase	Q9HZK0	Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG12228)	Predicted (SEA)	Prediction Confidence Score 0.471 Applicability Domain 0.471 Statistical Significance 1.00e-05 Supporting Reference Compounds 1 E-value 0.0778492
Click to view 3D structure	Glycogen phosphorylase, liver form	P06737	Humans	Predicted (SEA)	Prediction Confidence Score 0.47 Applicability Domain 0.857 Statistical Significance 7.00e-05 Supporting Reference Compounds 16 E-value 0.544945
Click to view 3D structure	Lactase/phlorizin hydrolase	Q02401	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.466 Applicability Domain 0.519 Statistical Significance 4.00e-05 Supporting Reference Compounds 7 E-value 0.311397
Click to view 3D structure	Glycogen phosphorylase, liver form	P09811	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.46 Applicability Domain 0.857 Statistical Significance 1.00e-05 Supporting Reference Compounds 5 E-value 0.0778492