Summary

IMPPAT Phytochemical identifier: IMPHY012201

Phytochemical name: 9-Decenoic acid

Synonymous chemical names:
9-decenoic acid, caproleic acid

External chemical identifiers:
CID:61743, ChEBI:32381, ZINC:ZINC000001850646, FDASRS:U2E27P3TGK, SureChEMBL:SCHEMBL94016, MolPort-000-153-810

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Chemical structure information

SMILES:
C=CCCCCCCCC(=O)O

InChI:
InChI=1S/C10H18O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2H,1,3-9H2,(H,11,12)

InChIKey:
KHAVLLBUVKBTBG-UHFFFAOYSA-N

DeepSMILES:
C=CCCCCCCCC=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: 1.112

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Chemical structure download