Summary

IMPPAT Phytochemical identifier: IMPHY014149

Phytochemical name: 2-Methyl oleic acid

Synonymous chemical names:
methyl oleic acid

External chemical identifiers:
CID:9922235, SureChEMBL:SCHEMBL202243

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Chemical structure information

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

InChI:
InChI=1S/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2)19(20)21/h10-11,18H,3-9,12-17H2,1-2H3,(H,20,21)/b11-10-

InChIKey:
JUUBMADBGZQVFT-KHPPLWFESA-N

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

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: Branched fatty acids, Unsaturated fatty acids

NP-Likeness score: 1.102

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Chemical structure download