Summary

IMPPAT Phytochemical identifier: IMPHY016468

Phytochemical name: 6-Heptenoic acid

Synonymous chemical names:
6-heptenoic acid

External chemical identifiers:
CID:70705, ChEBI:38363, ZINC:ZINC000001563484, FDASRS:TZY1TN97UH, SureChEMBL:SCHEMBL335817, MolPort-003-930-815

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Chemical structure information

SMILES:
C=CCCCCC(=O)O

InChI:
InChI=1S/C7H12O2/c1-2-3-4-5-6-7(8)9/h2H,1,3-6H2,(H,8,9)

InChIKey:
RWNJOXUVHRXHSD-UHFFFAOYSA-N

DeepSMILES:
C=CCCCCC=O)O

Functional groups:
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: 1.364

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Chemical structure download