Summary

IMPPAT Phytochemical identifier: IMPHY014862

Phytochemical name: cis-Vaccenic acid

Synonymous chemical names:
cis-11-octadecenoic acid

External chemical identifiers:
CID:5282761, ChEMBL:CHEMBL1236642, ChEBI:50464, ZINC:ZINC000014881303, FDASRS:400K7322UW, SureChEMBL:SCHEMBL97463, MolPort-003-959-881

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Chemical structure information

SMILES:
CCCCCC/C=CCCCCCCCCCC(=O)O

InChI:
InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-8H,2-6,9-17H2,1H3,(H,19,20)/b8-7-

InChIKey:
UWHZIFQPPBDJPM-FPLPWBNLSA-N

DeepSMILES:
CCCCCC/C=CCCCCCCCCCC=O)O

Functional groups:
C/C=CC, CC(=O)O

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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

NP Classifier Class: Unsaturated fatty acids

NP-Likeness score: 0.869

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Chemical structure download