Summary

IMPPAT Phytochemical identifier: IMPHY010058

Phytochemical name: Heptadecanoic acid, 4-methyl-

Synonymous chemical names:
4-methylheptadecanoic acid

External chemical identifiers:
CID:5319673

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Chemical structure information

SMILES:
CCCCCCCCCCCCCC(CCC(=O)O)C

InChI:
InChI=1S/C18H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-17(2)15-16-18(19)20/h17H,3-16H2,1-2H3,(H,19,20)

InChIKey:
YJSYQGRKJYFNIE-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCC=O)O))))C

Functional groups:
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

NP-Likeness score: 0.786

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Chemical structure download