EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:136590 - 4-O-phosphonato-D-threonate(3−)

ChEBI IDCHEBI:136590
ChEBI Name4-O-phosphonato-D-threonate(3−)
Stars
ASCII Name4-O-phosphonato-D-threonate(3-)
DefinitionA hydroxy monocarboxylic acid anion obtained by deprotonation of the carboxy and phosphate OH groups of 4-O-phosphono-D-threonic acid; major species at pH 7.3.
Last Modified16 June 2017
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC4H6O8P
Net Charge-3
Average Mass213.058
Monoisotopic Mass212.98167
SMILESO=C([O-])[C@@H](O)[C@H](O)COP(=O)([O-])[O-]
InChIInChI=1S/C4H9O8P/c5-2(3(6)4(7)8)1-12-13(9,10)11/h2-3,5-6H,1H2,(H,7,8)(H2,9,10,11)/p-3/t2-,3+/m1/s1
InChIKeyZCZXOHUILRHRQJ-GBXIJSLDSA-K
ChEBI Ontology
Outgoing Relation(s)
4-O-phosphonato-D-threonate(3−) (CHEBI:136590) is a hydroxy monocarboxylic acid anion (CHEBI:36059)
4-O-phosphonato-D-threonate(3−) (CHEBI:136590) is a organophosphate oxoanion (CHEBI:58945)
4-O-phosphonato-D-threonate(3−) (CHEBI:136590) is conjugate base of 4-phospho-D-threonic acid (CHEBI:49069)
Incoming Relation(s)
4-phospho-D-threonic acid (CHEBI:49069) is conjugate acid of 4-O-phosphonato-D-threonate(3−) (CHEBI:136590)
IUPAC Name 
(2S,3R)-2,3-dihydroxy-4-(phosphonatooxy)butanoate
UniProt Name  Source
4-O-phospho-D-threonateUniProt
Manual XrefsDatabases
CPD-19879MetaCyc