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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-ADP-2-phosphoglyceric acid
ChEBI ID CHEBI:18117
Definition A 3-ADP-glyceric acid having a phosphate group at the 2-position of the glyceric acid moiety.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:11732, CHEBI:19936, CHEBI:1433
Supplier Information
Download Molfile XML SDF
Formula C13H20N5O16P3
Net Charge 0
Average Mass 595.24328
Monoisotopic Mass 595.01179
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)/t5-,6?,8-,9-,12-/m1/s1
InChIKey FNEVPPRBJBZTAF-MDSCUQPFSA-N
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-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 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-phosphoglycerate KEGG COMPOUND
Manual Xref Database
C03673 KEGG COMPOUND
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Last Modified
10 January 2019