Summary

IMPPAT Phytochemical identifier: IMPHY005560

Phytochemical name: 2-Decenoic acid

Synonymous chemical names:
(e)-2-decenoic acid, 2-decenoic acid, 2-decenoic-acid

External chemical identifiers:
CID:5282724, ChEMBL:CHEMBL2229622, ChEBI:50467, ZINC:ZINC000001691018, FDASRS:332T8TH7B1, SureChEMBL:SCHEMBL417923, MolPort-003-662-504

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Chemical structure information

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

InChI:
InChI=1S/C10H18O2/c1-2-3-4-5-6-7-8-9-10(11)12/h8-9H,2-7H2,1H3,(H,11,12)/b9-8+

InChIKey:
WXBXVVIUZANZAU-CMDGGOBGSA-N

DeepSMILES:
CCCCCCC/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: 1.452

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Chemical structure download