Summary

IMPPAT Phytochemical identifier: IMPHY005767

Phytochemical name: 6-Hydroxy-6-methyl-9-oxooctacosanoic acid

Synonymous chemical names:
argemonic-acid

External chemical identifiers:
CID:194014

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCCC(=O)CCC(CCCCC(=O)O)(O)C

InChI:
InChI=1S/C29H56O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-27(30)24-26-29(2,33)25-21-20-23-28(31)32/h33H,3-26H2,1-2H3,(H,31,32)

InChIKey:
CGTVVCFTVVGYPL-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCC=O)CCCCCCCC=O)O))))))O)C

Functional groups:
CC(=O)O, CC(C)=O, CO

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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: Branched fatty acids, Oxo fatty acids

NP-Likeness score: 0.668

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Chemical structure download