Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID017896

Phytochemical name: (2R)-2-hydroxy-2-(2-methylpropyl)butanedioic acid

Synonymous chemical names:
(2R)-2-hydroxy-2-(2-methylpropyl)butanedioic acid

External chemical identifiers:
CID:CID_18641728

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Chemical structure information

SMILES:
CC(C[C@](C(=O)O)(CC(=O)O)O)C

InChI:
InChI=1S/C8H14O5/c1-5(2)3-8(13,7(11)12)4-6(9)10/h5,13H,3-4H2,1-2H3,(H,9,10)(H,11,12)/t8-/m1/s1

InChIKey:
AOJRRQNPQBDATA-MRVPVSSYSA-N

DeepSMILES:
CCC[C@]C=O)O))CC=O)O)))O)))C

Functional groups:
CC(=O)O, CO

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic acids and derivatives

ClassyFire Class: Hydroxy acids and derivatives

ClassyFire Subclass: Medium-chain hydroxy 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: 1.357

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Chemical structure download