Summary

IMPPAT Phytochemical identifier: IMPHY011362

Phytochemical name: 9,14-Dihydroxyoctadecanoic acid

Synonymous chemical names:
9,14-dihydroxyoctadecanoic, 9,14-dihydroxyoctadecanoic-acid, octadecanoic acid, 9,14-dihydroxy

External chemical identifiers:
CID:5312768, SureChEMBL:SCHEMBL2017784

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Chemical structure information

SMILES:
CCCCC(CCCCC(CCCCCCCC(=O)O)O)O

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

InChIKey:
UHSVJNCEYVVOCB-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCC=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: Fatty Acids and Conjugates, Octadecanoids

NP Classifier Class: Hydroxy fatty acids, Other Octadecanoids

NP-Likeness score: 0.724

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Chemical structure download