Summary

IMPPAT Phytochemical identifier: IMPHY014788

Phytochemical name: 9-Hydroxy-cis-11-octadecenoic acid

Synonymous chemical names:
9-hydroxy-cis-11-octadecenoic acid, 9-hydroxy-cis-11-octadecenoic acid (isomer of recinoleic acid)

External chemical identifiers:
CID:101243096

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Chemical structure information

SMILES:
CCCCCC/C=CCC(CCCCCCCC(=O)O)O

InChI:
InChI=1S/C18H34O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h8,11,17,19H,2-7,9-10,12-16H2,1H3,(H,20,21)/b11-8-

InChIKey:
KNMSLQJUPUXEQJ-FLIBITNWSA-N

DeepSMILES:
CCCCCC/C=CCCCCCCCCCC=O)O)))))))))O

Functional groups:
C/C=CC, 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: 1.614

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Chemical structure download