Summary

IMPPAT Phytochemical identifier: IMPHY003054

Phytochemical name: (2R,3R)-2,3,4-Trihydroxy-2-methylbutyric acid potassium salt

Synonymous chemical names:
(2r,3r)-form-2,3,4-trihydroxy-2-methylbutanoic acid,

External chemical identifiers:
CID:23680511

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Chemical structure information

SMILES:
OC[C@H]([C@](C(=O)[O-])(O)C)O.[K+]

InChI:
InChI=1S/C5H10O5.K/c1-5(10,4(8)9)3(7)2-6;/h3,6-7,10H,2H2,1H3,(H,8,9);/q;+1/p-1/t3-,5-;/m1./s1

InChIKey:
VHUQXBLLVWGAIB-MXQJLSQZSA-M

DeepSMILES:
OC[C@H][C@]C=O)[O-]))O)C))O.[K+]

Functional groups:
CC(=O)[O-], CO, [K+]

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbohydrates and carbohydrate conjugates

NP Classifier Biosynthetic pathway: Carbohydrates

NP Classifier Superclass: Saccharides

NP-Likeness score: 1.183

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Chemical structure download