9-[(2r,3r,5r,6s)-3,5-dihydroxy-6-methyloxan-2-yl]oxynonanoic acid (CED0250463)

Record Information

Version

1.0

Creation Date

2026-08-28 15:34:59 UTC

Update Date

2026-08-28 15:34:59 UTC

SynCED ID

CED0250463

Secondary Accession Numbers

CHEM295039

Identification

Common Name

9-[(2r,3r,5r,6s)-3,5-dihydroxy-6-methyloxan-2-yl]oxynonanoic acid

Class

Small Molecule

Description

9-[(2r,3r,5r,6s)-3,5-dihydroxy-6-methyloxan-2-yl]oxynonanoic acid belongs to the carbohydrates and carbohydrate conjugates, a subclass of organooxygen compounds within the organic compounds. This organic oxygen compound has the formula C15H28O6 and an average molecular weight of 304.38 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₅H₂₈O₆

Average Molecular Mass

Not Available

Monoisotopic Mass

304.189 g/mol

CAS Registry Number

1355681-22-9

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CC1C(CC(C(O1)OCCCCCCCCC(=O)O)O)O

InChI Identifier

InChI=1S/C15H28O6/c1-11-12(16)10-13(17)15(21-11)20-9-7-5-3-2-4-6-8-14(18)19/h11-13,15-17H,2-10H2,1H3,(H,18,19)/t11-,12+,13+,15+/m0/s1

InChI Key

WGGIJTBDSYSSPD-KYEXWDHISA-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

Not Available

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
2593.0 Log mg/kg [1500:4600]	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

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000010	Insecticides?Insecticides are synthetic chemicals designed to control or eliminate insect pests that threaten crops and other agricultural products.	Agriculture & land management	PubChem
CEDs000600	Herbicides And Algicides?Herbicides and algicides are synthetic chemicals primarily used to control unwanted plants and algae in various environments.	Agriculture & land management	PubChem
CEDs000603	Nematocides?Nematocides are synthetic chemicals specifically designed to control nematodes, which are microscopic roundworms that can cause significant damage to crops and plants.	Agriculture & land management	PubChem
CEDs000606	Plant Growth Regulators?Plant Growth Regulators (PGRs) are synthetic chemicals designed to influence the growth and development of plants.	Agriculture & land management	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	P-selectin	Q01102	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.324 Applicability Domain 0.324 Statistical Significance 8.00e-05 Supporting Reference Compounds 3 E-value 0.622794
Click to view 3D structure	E-selectin	Q00690	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.324 Applicability Domain 0.324 Statistical Significance 8.00e-05 Supporting Reference Compounds 1 E-value 0.622794
Click to view 3D structure	L-selectin	P18337	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.324 Applicability Domain 0.324 Statistical Significance 8.00e-05 Supporting Reference Compounds 2 E-value 0.622794
Click to view 3D structure	Tyrosine-protein phosphatase non-receptor type 1	P18031	Humans	Predicted (SEA)	Prediction Confidence Score 0.316 Applicability Domain 0.333 Statistical Significance 0.0069 Supporting Reference Compounds 197 E-value 53.716
Click to view 3D structure	Peroxisome proliferator-activated receptor alpha	Q07869	Humans	Predicted (SEA)	Prediction Confidence Score 0.316 Applicability Domain 0.333 Statistical Significance 0.0094 Supporting Reference Compounds 127 E-value 73.5675
Click to view 3D structure	Peroxisome proliferator-activated receptor delta	Q03181	Humans	Predicted (SEA)	Prediction Confidence Score 0.304 Applicability Domain 0.333 Statistical Significance 0.0087 Supporting Reference Compounds 89 E-value 68.0402
Click to view 3D structure	Isoleucine--tRNA ligase	P56690	Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579)	Predicted (SEA)	Prediction Confidence Score 0.292 Applicability Domain 0.292 Low confidence Statistical Significance 1.00e-05 Supporting Reference Compounds 1 E-value 0.0778492
Click to view 3D structure	Peroxisome proliferator-activated receptor gamma	P37231	Humans	Predicted (SEA)	Prediction Confidence Score 0.291 Applicability Domain 0.333 Statistical Significance 0.0237 Supporting Reference Compounds 192 E-value 184.269
Click to view 3D structure	Solute carrier organic anion transporter family member 2B1	Q9JHI3	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.286 Applicability Domain 0.286 Low confidence Statistical Significance 3.60e-04 Supporting Reference Compounds 2 E-value 2.80257
Click to view 3D structure	Prostaglandin E2 receptor EP1 subtype	P34995	Humans	Predicted (SEA)	Prediction Confidence Score 0.285 Applicability Domain 0.295 Low confidence Statistical Significance 0.0066 Supporting Reference Compounds 78 E-value 51.6919
Click to view 3D structure	Thromboxane A2 receptor	P21731	Humans	Predicted (SEA)	Prediction Confidence Score 0.285 Applicability Domain 0.295 Low confidence Statistical Significance 0.0067 Supporting Reference Compounds 96 E-value 52.5482
Click to view 3D structure	Prostaglandin E2 receptor EP2 subtype	P43116	Humans	Predicted (SEA)	Prediction Confidence Score 0.285 Applicability Domain 0.295 Low confidence Statistical Significance 0.0056 Supporting Reference Compounds 95 E-value 43.8291
Click to view 3D structure	Prostacyclin receptor	P43119	Humans	Predicted (SEA)	Prediction Confidence Score 0.283 Applicability Domain 0.295 Low confidence Statistical Significance 0.0034 Supporting Reference Compounds 63 E-value 26.6244
Click to view 3D structure	Prostaglandin E2 receptor EP3 subtype	P43115	Humans	Predicted (SEA)	Prediction Confidence Score 0.281 Applicability Domain 0.295 Low confidence Statistical Significance 0.0086 Supporting Reference Compounds 102 E-value 67.0282
Click to view 3D structure	Histone deacetylase 11	Q96DB2	Humans	Predicted (SEA)	Prediction Confidence Score 0.276 Applicability Domain 0.333 Statistical Significance 0.0358 Supporting Reference Compounds 149 E-value 278.389
Click to view 3D structure	Prostaglandin F2-alpha receptor	P43088	Humans	Predicted (SEA)	Prediction Confidence Score 0.273 Applicability Domain 0.295 Low confidence Statistical Significance 0.0046 Supporting Reference Compounds 50 E-value 35.5771
Click to view 3D structure	Transient receptor potential cation channel subfamily V member 2	Q9WUD2	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.273 Applicability Domain 0.333 Statistical Significance 0.0034 Supporting Reference Compounds 21 E-value 26.7801
Click to view 3D structure	Free fatty acid receptor 1	O14842	Humans	Predicted (SEA)	Prediction Confidence Score 0.272 Applicability Domain 0.333 Statistical Significance 0.0159 Supporting Reference Compounds 56 E-value 123.936
Click to view 3D structure	Solute carrier organic anion transporter family member 2A1	Q9EPT5	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.27 Applicability Domain 0.286 Low confidence Statistical Significance 5.70e-04 Supporting Reference Compounds 2 E-value 4.43741
Click to view 3D structure	Prostaglandin E2 receptor EP4 subtype	P35408	Humans	Predicted (SEA)	Prediction Confidence Score 0.267 Applicability Domain 0.295 Low confidence Statistical Significance 0.0138 Supporting Reference Compounds 92 E-value 107.276
Click to view 3D structure	Long-chain-fatty-acid--CoA ligase 6	Q9UKU0	Humans	Predicted (SEA)	Prediction Confidence Score 0.267 Applicability Domain 0.267 Low confidence Statistical Significance 0.0038 Supporting Reference Compounds 1 E-value 29.7384
Click to view 3D structure	Free fatty acid receptor 4	Q5NUL3	Humans	Predicted (SEA)	Prediction Confidence Score 0.256 Applicability Domain 0.333 Statistical Significance 0.0238 Supporting Reference Compounds 63 E-value 185.515
Click to view 3D structure	Prostaglandin D2 receptor	Q13258	Humans	Predicted (SEA)	Prediction Confidence Score 0.255 Applicability Domain 0.295 Low confidence Statistical Significance 0.0216 Supporting Reference Compounds 81 E-value 168.466
Click to view 3D structure	Putative inactive group IIC secretory phospholipase A2	Q5R387	Humans	Predicted (SEA)	Prediction Confidence Score 0.25 Applicability Domain 0.25 Low confidence Statistical Significance 0.0019 Supporting Reference Compounds 1 E-value 14.8692
Click to view 3D structure	Sodium- and chloride-dependent GABA transporter 2	P31646	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.25 Applicability Domain 0.25 Low confidence Statistical Significance 5.20e-04 Supporting Reference Compounds 1 E-value 4.04816