Summary

IMPPAT Phytochemical identifier: IMPHY010009

Phytochemical name: 22-Oxononacosanoic acid

Synonymous chemical names:
22-oxo-nonacosanoic acid, 22-oxononacosanoic acid

External chemical identifiers:
CID:71330298, ZINC:ZINC000086037823

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Chemical structure information

SMILES:
CCCCCCCC(=O)CCCCCCCCCCCCCCCCCCCCC(=O)O

InChI:
InChI=1S/C29H56O3/c1-2-3-4-19-22-25-28(30)26-23-20-17-15-13-11-9-7-5-6-8-10-12-14-16-18-21-24-27-29(31)32/h2-27H2,1H3,(H,31,32)

InChIKey:
MWZLKRIGGKHYEA-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCC=O)CCCCCCCCCCCCCCCCCCCCC=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: 0.382

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Chemical structure download