Summary

IMPPAT Phytochemical identifier: IMPHY012762

Phytochemical name: beta-Kamlolenic acid

Synonymous chemical names:
beta-kamlolenic acid

External chemical identifiers:
CID:5282950, SureChEMBL:SCHEMBL5414634

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Chemical structure information

SMILES:
OCCCC/C=C/C=C/C=C/CCCCCCCC(=O)O

InChI:
InChI=1S/C18H30O3/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(20)21/h1-3,5,7,9,19H,4,6,8,10-17H2,(H,20,21)/b2-1+,5-3+,9-7+

InChIKey:
YPHQMIRXEFDOQM-KERFEQBRSA-N

DeepSMILES:
OCCCC/C=C/C=C/C=C/CCCCCCCC=O)O

Functional groups:
C/C=C/C=C/C=C/C, CC(=O)O, CO

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Lineolic acids and derivatives

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty Acids and Conjugates

NP-Likeness score: 1.282

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Chemical structure download