Summary

IMPPAT Phytochemical identifier: IMPHY011453

Phytochemical name: 3-Hexenoic acid

Synonymous chemical names:
3-hexenoic acid, e-3-hexenoic acid

External chemical identifiers:
CID:5282708, ChEBI:49285, ZINC:ZINC000001634093, FDASRS:9B3N069EDG, SureChEMBL:SCHEMBL37416, MolPort-001-792-029

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Chemical structure information

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

InChI:
InChI=1S/C6H10O2/c1-2-3-4-5-6(7)8/h3-4H,2,5H2,1H3,(H,7,8)/b4-3+

InChIKey:
XXHDAWYDNSXJQM-ONEGZZNKSA-N

DeepSMILES:
CC/C=C/CC=O)O

Functional groups:
C/C=C/C, 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: 1.832

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Chemical structure download