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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 No supplier information found for this compound.
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