Summary

IMPPAT Phytochemical identifier: IMPHY003284

Phytochemical name: 14-Methylpentadecanoic acid

Synonymous chemical names:
isohexadecanoic acid, isopalmitic acid

External chemical identifiers:
CID:36247, ChEBI:84890, ZINC:ZINC000004557091, FDASRS:IHU3LRR6SX, SureChEMBL:SCHEMBL398305, MolPort-003-958-813

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Chemical structure information

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

InChI:
InChI=1S/C16H32O2/c1-15(2)13-11-9-7-5-3-4-6-8-10-12-14-16(17)18/h15H,3-14H2,1-2H3,(H,17,18)

InChIKey:
ZONJATNKKGGVSU-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCC=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: 0.55

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Chemical structure download