Summary

IMPPAT Phytochemical identifier: IMPHY014045

Phytochemical name: 16-Methyloctadecanoic acid

Synonymous chemical names:
methyl stearic acid

External chemical identifiers:
CID:5282601, ChEBI:84875, FDASRS:Y74U21VL6S, SureChEMBL:SCHEMBL346960

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Chemical structure information

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

InChI:
InChI=1S/C19H38O2/c1-3-18(2)16-14-12-10-8-6-4-5-7-9-11-13-15-17-19(20)21/h18H,3-17H2,1-2H3,(H,20,21)

InChIKey:
PCGKIWPTIJPQHI-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCC=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: 0.676

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Chemical structure download