Summary

IMPPAT Phytochemical identifier: IMPHY007019

Phytochemical name: (E)-oct-2-enoic acid

Synonymous chemical names:
2-octenoic-acid

External chemical identifiers:
CID:73850

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Chemical structure information

SMILES:
CCCCCC=CC(=O)O

InChI:
InChI=1S/C8H14O2/c1-2-3-4-5-6-7-8(9)10/h6-7H,2-5H2,1H3,(H,9,10)

InChIKey:
CWMPPVPFLSZGCY-UHFFFAOYSA-N

DeepSMILES:
CCCCCC=CC=O)O

Functional groups:
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: 1.635

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Chemical structure download