Summary

IMPPAT Phytochemical identifier: IMPHY000589

Phytochemical name: Hexacosanoic acid

Synonymous chemical names:
cerotic acid, cerotic-acid, hexacosanoic, hexacosanoic acid

External chemical identifiers:
CID:10469, ChEMBL:CHEMBL464787, ChEBI:31009, ZINC:ZINC000006920381, FDASRS:D42CQN6P36, SureChEMBL:SCHEMBL134632, MolPort-003-895-996

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O

InChI:
InChI=1S/C26H52O2/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)28/h2-25H2,1H3,(H,27,28)

InChIKey:
XMHIUKTWLZUKEX-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCC=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: 0.248

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Chemical structure download