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CHEBI:58381 - 3-ADP-2-phosphoglycerate(5−)

ChEBI IDCHEBI:58381
ChEBI Name3-ADP-2-phosphoglycerate(5−)
Stars
ASCII Name3-ADP-2-phosphoglycerate(5-)
DefinitionAn organophosphate oxoanion arising from deprotonation of the phosphate OH and carboxy groups of 3-ADP-2-phosphoglyceric acid; major species at pH 7.3.
Last Modified13 November 2017
DownloadsMolfile
FormulaC13H15N5O16P3
Net Charge-5
Average Mass590.204
Monoisotopic Mass589.97541
SMILESNc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OCC(OP(=O)([O-])[O-])C(=O)[O-])[C@@H](O)[C@H]1O
InChIInChI=1S/C13H20N5O16P3/c14-10-7-11(16-3-15-10)18(4-17-7)12-9(20)8(19)5(32-12)1-30-36(26,27)34-37(28,29)31-2-6(13(21)22)33-35(23,24)25/h3-6,8-9,12,19-20H,1-2H2,(H,21,22)(H,26,27)(H,28,29)(H2,14,15,16)(H2,23,24,25)/p-5/t5-,6?,8-,9-,12-/m1/s1
InChIKeyFNEVPPRBJBZTAF-MDSCUQPFSA-I
ChEBI Ontology
Outgoing Relation(s)
3-ADP-2-phosphoglycerate(5−) (CHEBI:58381) is a monocarboxylic acid anion (CHEBI:35757)
3-ADP-2-phosphoglycerate(5−) (CHEBI:58381) is a organophosphate oxoanion (CHEBI:58945)
3-ADP-2-phosphoglycerate(5−) (CHEBI:58381) is conjugate base of 3-ADP-2-phosphoglyceric acid (CHEBI:18117)
Incoming Relation(s)
3-ADP-2-phosphoglyceric acid (CHEBI:18117) is conjugate acid of 3-ADP-2-phosphoglycerate(5−) (CHEBI:58381)
IUPAC Name 
5'-O-[({[2-carboxylato-2-(phosphonatooxy)ethoxy]phosphinato}oxy)phosphinato]adenosine
Synonyms  Source
3-ADP-2-phosphoglycerate pentaanionChEBI
3-ADP-2-phosphoglycerateChEBI
UniProt Name  Source
3-ADP-2-phosphoglycerateUniProt