Summary

IMPPAT Phytochemical identifier: IMPHY013551

Phytochemical name: 9,18-Dihydroxyoctadecanoic acid

Synonymous chemical names:
9,18-dihydroxyoctadecanoic acid, 9,18-dihydroxyoctadecanoiv

External chemical identifiers:
CID:85798297, SureChEMBL:SCHEMBL18955677

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Chemical structure information

SMILES:
OCCCCCCCCCC(CCCCCCCC(=O)O)O

InChI:
InChI=1S/C18H36O4/c19-16-12-8-3-1-2-5-9-13-17(20)14-10-6-4-7-11-15-18(21)22/h17,19-20H,1-16H2,(H,21,22)

InChIKey:
BTDPBXZCKBVWTJ-UHFFFAOYSA-N

DeepSMILES:
OCCCCCCCCCCCCCCCCCC=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: 0.87

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Chemical structure download