Summary

IMPPAT Phytochemical identifier: IMPHY016483

Phytochemical name: 7-Octenoic acid

Synonymous chemical names:
7-octenoic acid

External chemical identifiers:
CID:543977, ZINC:ZINC000043781616, FDASRS:UMY8YV4JPR, SureChEMBL:SCHEMBL481539, MolPort-023-213-092

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Chemical structure information

SMILES:
C=CCCCCCC(=O)O

InChI:
InChI=1S/C8H14O2/c1-2-3-4-5-6-7-8(9)10/h2H,1,3-7H2,(H,9,10)

InChIKey:
OZYYQTRHHXLTKX-UHFFFAOYSA-N

DeepSMILES:
C=CCCCCCC=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: 1.335

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Chemical structure download