Summary

IMPPAT Phytochemical identifier: IMPHY013651

Phytochemical name: 14-Oxoheptacosanoic acid

Synonymous chemical names:
14-oxo-heptacosanoic acid, 14-oxoheptacosanoic acid

External chemical identifiers:
CID:123768270, ZINC:ZINC000238760246

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Chemical structure information

SMILES:
CCCCCCCCCCCCCC(=O)CCCCCCCCCCCCC(=O)O

InChI:
InChI=1S/C27H52O3/c1-2-3-4-5-6-7-8-11-14-17-20-23-26(28)24-21-18-15-12-9-10-13-16-19-22-25-27(29)30/h2-25H2,1H3,(H,29,30)

InChIKey:
OWCQOYUMRDGWNL-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCC=O)CCCCCCCCCCCCC=O)O

Functional groups:
CC(=O)O, CC(C)=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: Oxo fatty acids

NP-Likeness score: 0.407

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Chemical structure download