Summary

IMPPAT Phytochemical identifier: IMPHY010988

Phytochemical name: trans-2-Icosenoic acid

Synonymous chemical names:
eicosenoic, eicosenoic acid, eicosenoic-acid

External chemical identifiers:
CID:6438157, ChEMBL:CHEMBL4282100, ChEBI:79014, ZINC:ZINC000032787454, SureChEMBL:SCHEMBL20072, MolPort-009-019-066

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCC/C=C/C(=O)O

InChI:
InChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h18-19H,2-17H2,1H3,(H,21,22)/b19-18+

InChIKey:
FIKTURVKRGQNQD-VHEBQXMUSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCC/C=C/C=O)O

Functional groups:
C/C=C/C(=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: 0.792

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Chemical structure download