Summary

IMPPAT Phytochemical identifier: IMPHY010296

Phytochemical name: cis-3-Hexenoic acid

Synonymous chemical names:
(z)-3-hexenoic acid, cis-hex-3-enoic acid

External chemical identifiers:
CID:5355152, ChEBI:49284, ZINC:ZINC000004538481, FDASRS:86H58C39ZV, SureChEMBL:SCHEMBL1129707

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Chemical structure information

SMILES:
CC/C=CCC(=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-ARJAWSKDSA-N

DeepSMILES:
CC/C=CCC=O)O

Functional groups:
C/C=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: 1.832

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Chemical structure download