Summary

IMPPAT Phytochemical identifier: IMPHY011281

Phytochemical name: threo-9,10-Dihydroxystearic acid

Synonymous chemical names:
(9s,10r)-9,10-dihydroxystearic-acid

External chemical identifiers:
CID:12235228, ZINC:ZINC000030726317, FDASRS:SQL1V605V5

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Chemical structure information

SMILES:
CCCCCCCC[C@H]([C@@H](CCCCCCCC(=O)O)O)O

InChI:
InChI=1S/C18H36O4/c1-2-3-4-5-7-10-13-16(19)17(20)14-11-8-6-9-12-15-18(21)22/h16-17,19-20H,2-15H2,1H3,(H,21,22)/t16-,17-/m1/s1

InChIKey:
VACHUYIREGFMSP-IAGOWNOFSA-N

DeepSMILES:
CCCCCCCC[C@H][C@@H]CCCCCCCC=O)O)))))))))O))O

Functional groups:
CC(=O)O, CO

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty acids and conjugates

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Octadecanoids

NP Classifier Class: Other Octadecanoids

NP-Likeness score: 0.809

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Chemical structure download