Summary

IMPPAT Phytochemical identifier: IMPHY009433

Phytochemical name: 11-Oxooctacosanoic acid

Synonymous chemical names:
11-oxo-octacosanoic acid

External chemical identifiers:
CID:71370172

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCC(=O)CCCCCCCCCC(=O)O

InChI:
InChI=1S/C28H54O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-21-24-27(29)25-22-19-16-14-17-20-23-26-28(30)31/h2-26H2,1H3,(H,30,31)

InChIKey:
AKDNCHSRFCFLGP-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCC=O)CCCCCCCCCC=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: 0.394

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Chemical structure download