Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID009043

Phytochemical name: Threonic acid

Synonymous chemical names:
threonic acid

External chemical identifiers:
CID:CID_151152, ChEBI:CHEBI:49059, ZINC:ZINC000000901060, FDASRS:NTD0MI8XRT, SureChEMBL:SCHEMBL113115

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Chemical structure information

SMILES:
OC[C@H]([C@@H](C(=O)O)O)O

InChI:
InChI=1S/C4H8O5/c5-1-2(6)3(7)4(8)9/h2-3,5-7H,1H2,(H,8,9)/t2-,3+/m1/s1

InChIKey:
JPIJQSOTBSSVTP-GBXIJSLDSA-N

DeepSMILES:
OC[C@H][C@@H]C=O)O))O))O

Functional groups:
CO, CC(=O)O

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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, Fatty acids

NP Classifier Superclass: Fatty Acids and Conjugates, Saccharides

NP Classifier Class: Hydroxy fatty acids, Monosaccharides

NP-Likeness score: 1.662

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Chemical structure download