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CHEBI:57800 - 3-ADP-glycerate(3−)

Default Structure
ChEBI IDCHEBI:57800
ChEBI Name3-ADP-glycerate(3−)
Stars
ASCII Name3-ADP-glycerate(3-)
DefinitionTrianion of 3-ADP-glyceric acid arising from deprotonation of phosphate and carboxy groups; major species at pH 7.3.
Last Modified13 November 2017
DownloadsMolfile
FormulaC13H16N5O13P2
Net Charge-3
Average Mass512.241
Monoisotopic Mass512.02363
SMILESNc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OCC(O)C(=O)[O-])[C@@H](O)[C@H]1O
InChIInChI=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
InChIKeyAPVQTUURIRQYIT-NRJACJQQSA-K
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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]
Synonym  Source
3-ADP-glycerate trianionChEBI
UniProt Name  Source
3-ADP-glycerateUniProt