Summary

IMPPAT Phytochemical identifier: IMPHY004887

Phytochemical name: 14-Oxo-octadecanoic acid

Synonymous chemical names:
14-oxo-hectacosanoic acid

External chemical identifiers:
CID:5312906, ZINC:ZINC000033822332

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Chemical structure information

SMILES:
CCCCC(=O)CCCCCCCCCCCCC(=O)O

InChI:
InChI=1S/C18H34O3/c1-2-3-14-17(19)15-12-10-8-6-4-5-7-9-11-13-16-18(20)21/h2-16H2,1H3,(H,20,21)

InChIKey:
SNTUZKPEHBBWOS-UHFFFAOYSA-N

DeepSMILES:
CCCCC=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, Octadecanoids

NP Classifier Class: Other Octadecanoids, Oxo fatty acids

NP-Likeness score: 0.529

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Chemical structure download