Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID009988

Phytochemical name: 14-Methylhexadecanoic acid

Synonymous chemical names:
hexadecanoic acid, 14-methyl, 14-methylhexadecanoic acid

External chemical identifiers:
CID:CID_22207, ChEBI:CHEBI:84874, SureChEMBL:SCHEMBL347119, MolPort-003-958-700

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Chemical structure information

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

InChI:
InChI=1S/C17H34O2/c1-3-16(2)14-12-10-8-6-4-5-7-9-11-13-15-17(18)19/h16H,3-15H2,1-2H3,(H,18,19)

InChIKey:
FXUKWLSZZHVEJD-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCC=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: 0.747

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Chemical structure download