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

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ChEBI Name 3-ADP-2-phosphoglycerate(5−)
ChEBI ID CHEBI:58381
ChEBI ASCII Name 3-ADP-2-phosphoglycerate(5-)
Definition An organophosphate oxoanion arising from deprotonation of the phosphate OH and carboxy groups of 3-ADP-2-phosphoglyceric acid; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ChemicalBook:CB2409023, eMolecules:17665709, eMolecules:29913747, eMolecules:35779400, eMolecules:36749934, eMolecules:1937450, eMolecules:24639358
Download Molfile XML SDF
Formula C13H15N5O16P3
Net Charge -5
Average Mass 590.20340
Monoisotopic Mass 589.97541
InChI InChI=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
InChIKey FNEVPPRBJBZTAF-MDSCUQPFSA-I
SMILES Nc1ncnc2n(cnc12)[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
ChEBI Ontology
Outgoing 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 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 Sources
3-ADP-2-phosphoglycerate UniProt
3-ADP-2-phosphoglycerate ChEBI
3-ADP-2-phosphoglycerate pentaanion ChEBI
Last Modified
13 November 2017