Summary

IMPPAT Phytochemical identifier: IMPHY017338

Phytochemical name: 2-Undecenoic acid

Synonymous chemical names:
2-undecenoic acid, trans-2-undecenoic acid

External chemical identifiers:
CID:5282728, ChEMBL:CHEMBL3307202, ChEBI:39450, ZINC:ZINC000002390028, SureChEMBL:SCHEMBL17828, MolPort-023-221-985

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Chemical structure information

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

InChI:
InChI=1S/C11H20O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h9-10H,2-8H2,1H3,(H,12,13)/b10-9+

InChIKey:
IGBBVTAVILYDIO-MDZDMXLPSA-N

DeepSMILES:
CCCCCCCC/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: 1.34

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Chemical structure download