Summary

IMPPAT Phytochemical identifier: IMPHY005705

Phytochemical name: 16-Methylheptadecanoic acid

Synonymous chemical names:
16-methylheptadecanoic acid, isostearic acid, stearic acid, iso

External chemical identifiers:
CID:21859, ChEMBL:CHEMBL1865303, ChEBI:84896, ZINC:ZINC000004556536, FDASRS:LZM5XA0ILL, SureChEMBL:SCHEMBL15489, MolPort-003-958-795

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Chemical structure information

SMILES:
CC(CCCCCCCCCCCCCCC(=O)O)C

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

InChIKey:
XDOFQFKRPWOURC-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: 0.495

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Chemical structure download