Summary

IMPPAT Phytochemical identifier: IMPHY012723

Phytochemical name: Linolenic acid

Synonymous chemical names:
linolenate, linolenic acid, linolenic acid, alpha, linolenic acid, alpha-, α-linolenic acid

External chemical identifiers:
CID:5280934, ChEMBL:CHEMBL8739, ChEBI:27432, ZINC:ZINC000003802189, FDASRS:0RBV727H71, SureChEMBL:SCHEMBL15282, MolPort-003-937-817

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Chemical structure information

SMILES:
CC/C=CC/C=CC/C=CCCCCCCCC(=O)O

InChI:
InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-

InChIKey:
DTOSIQBPPRVQHS-PDBXOOCHSA-N

DeepSMILES:
CC/C=CC/C=CC/C=CCCCCCCCC=O)O

Functional groups:
C/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: Lineolic acids and derivatives

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty Acids and Conjugates

NP Classifier Class: Unsaturated fatty acids

NP-Likeness score: 1.358

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Chemical structure download