Summary

IMPPAT Phytochemical identifier: IMPHY012761

Phytochemical name: Gadoleic acid

Synonymous chemical names:
gadoleic acid

External chemical identifiers:
CID:5282767, ChEBI:32419, ZINC:ZINC000064622623, FDASRS:474JWU0SQ6, SureChEMBL:SCHEMBL245176

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Chemical structure information

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

InChI:
InChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h11-12H,2-10,13-19H2,1H3,(H,21,22)/b12-11-

InChIKey:
LQJBNNIYVWPHFW-QXMHVHEDSA-N

DeepSMILES:
CCCCCCCCCC/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: 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: 0.79

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Chemical structure download