Summary

IMPPAT Phytochemical identifier: IMPHY000587

Phytochemical name: Pentacosanoic acid

Synonymous chemical names:
n-pentacosanoic acid, pentacosanoic acid

External chemical identifiers:
CID:10468, ChEMBL:CHEMBL4303190, ChEBI:39420, ZINC:ZINC000032787878, FDASRS:4S768OX95G, SureChEMBL:SCHEMBL2054087, MolPort-003-910-345

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCC(=O)O

InChI:
InChI=1S/C25H50O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(26)27/h2-24H2,1H3,(H,26,27)

InChIKey:
MWMPEAHGUXCSMY-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCCCCC=O)O

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: Unsaturated fatty acids

NP-Likeness score: 0.257

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Chemical structure download