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CHEBI:18117 - 3-ADP-2-phosphoglyceric acid

ChEBI IDCHEBI:18117
ChEBI Name3-ADP-2-phosphoglyceric acid
Stars
DefinitionA 3-ADP-glyceric acid having a phosphate group at the 2-position of the glyceric acid moiety.
Secondary ChEBI IDsCHEBI:1433, CHEBI:11732, CHEBI:19936
Last Modified10 January 2019
DownloadsMolfile
FormulaC13H20N5O16P3
Net Charge0
Average Mass595.244
Monoisotopic Mass595.01179
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)/t5-,6?,8-,9-,12-/m1/s1
InChIKeyFNEVPPRBJBZTAF-MDSCUQPFSA-N
ChEBI Ontology
Outgoing Relation(s)
3-ADP-2-phosphoglyceric acid (CHEBI:18117) has functional parent glyceric acid (CHEBI:33508)
3-ADP-2-phosphoglyceric acid (CHEBI:18117) is a 3-ADP-glyceric acid (CHEBI:16515)
3-ADP-2-phosphoglyceric acid (CHEBI:18117) is a tetronic acid derivative (CHEBI:63455)
3-ADP-2-phosphoglyceric acid (CHEBI:18117) is conjugate acid of 3-ADP-2-phosphoglycerate(5−) (CHEBI:58381)
Incoming Relation(s)
3-ADP-2-phosphoglycerate(5−) (CHEBI:58381) is conjugate base of 3-ADP-2-phosphoglyceric acid (CHEBI:18117)
IUPAC Name 
3-{[(adenosin-5'-yl)(hydroxy)phosphoryloxy](hydroxy)phosphoryloxy}-2-(phosphonooxy)propanoic acid
Synonym  Source
3-(ADP)-2-phosphoglycerateKEGG COMPOUND
Manual XrefsDatabases
C03673KEGG COMPOUND
C03673KEGG COMPOUND