CHEBI:57800 - 3-ADP-glycerate(3−)

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ChEBI Name 3-ADP-glycerate(3−)
ChEBI ID CHEBI:57800
ChEBI ASCII Name 3-ADP-glycerate(3-)
Definition Trianion of 3-ADP-glyceric acid arising from deprotonation of phosphate and carboxy groups; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C13H16N5O13P2
Net Charge -3
Average Mass 512.23940
Monoisotopic Mass 512.02363
InChI InChI=1S/C13H19N5O13P2/c14-10-7-11(16-3-15-10)18(4-17-7)12-9(21)8(20)6(30-12)2-29-33(26,27)31-32(24,25)28-1-5(19)13(22)23/h3-6,8-9,12,19-21H,1-2H2,(H,22,23)(H,24,25)(H,26,27)(H2,14,15,16)/p-3/t5?,6-,8-,9-,12-/m1/s1
InChIKey APVQTUURIRQYIT-NRJACJQQSA-K
SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OCC(O)C([O-])=O)[C@@H](O)[C@H]1O
ChEBI Ontology
Outgoing 3-ADP-glycerate(3−) (CHEBI:57800) is a hydroxy monocarboxylic acid anion (CHEBI:36059)
3-ADP-glycerate(3−) (CHEBI:57800) is a organophosphate oxoanion (CHEBI:58945)
3-ADP-glycerate(3−) (CHEBI:57800) is conjugate base of 3-ADP-glyceric acid (CHEBI:16515)
Incoming 3-ADP-glyceric acid (CHEBI:16515) is conjugate acid of 3-ADP-glycerate(3−) (CHEBI:57800)
IUPAC Names
5'-O-({[(2-carboxylato-2-hydroxyethoxy)phosphinato]oxy}phosphinato)adenosine
adenosine 5'-[3-(2-carboxylato-2-hydroxyethyl) diphosphate]
Synonyms Sources
3-ADP-glycerate UniProt
3-ADP-glycerate trianion ChEBI
Last Modified
13 November 2017