Summary

IMPPAT Phytochemical identifier: IMPHY017337

Phytochemical name: 2-Heptenoic acid

Synonymous chemical names:
2-heptenoic acid, trans-hept-2-enoic acid

External chemical identifiers:
CID:5282709, ChEBI:38364, ZINC:ZINC000001765586, FDASRS:1IB74EZ67V, SureChEMBL:SCHEMBL193588, MolPort-003-662-506

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Chemical structure information

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

InChI:
InChI=1S/C7H12O2/c1-2-3-4-5-6-7(8)9/h5-6H,2-4H2,1H3,(H,8,9)/b6-5+

InChIKey:
YURNCBVQZBJDAJ-AATRIKPKSA-N

DeepSMILES:
CCCC/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: 1.737

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Chemical structure download