Summary

IMPPAT Phytochemical identifier: IMPHY000682

Phytochemical name: 1,3-Dihydroxypentane-1,3,5-tricarboxylic acid

Synonymous chemical names:
phorbic acid

External chemical identifiers:
CID:10059997

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Chemical structure information

SMILES:
OC(=O)CCC(C(=O)O)(CC(C(=O)O)O)O

InChI:
InChI=1S/C8H12O8/c9-4(6(12)13)3-8(16,7(14)15)2-1-5(10)11/h4,9,16H,1-3H2,(H,10,11)(H,12,13)(H,14,15)

InChIKey:
CQBQTNMBPLCAHQ-UHFFFAOYSA-N

DeepSMILES:
OC=O)CCCC=O)O))CCC=O)O))O)))O

Functional groups:
CC(=O)O, CO

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic acids and derivatives

ClassyFire Class: Carboxylic acids and derivatives

ClassyFire Subclass: Tricarboxylic acids and derivatives

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty Acids and Conjugates

NP Classifier Class: Dicarboxylic acids, Hydroxy fatty acids

NP-Likeness score: 1.054

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Chemical structure download