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CHEBI:16515 - 3-ADP-glyceric acid

Default Structure
ChEBI IDCHEBI:16515
ChEBI Name3-ADP-glyceric acid
Stars
Secondary ChEBI IDsCHEBI:1434, CHEBI:11733, CHEBI:19937
Last Modified10 January 2019
DownloadsMolfile
FormulaC13H19N5O13P2
Net Charge0
Average Mass515.265
Monoisotopic Mass515.04546
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)/t5?,6-,8-,9-,12-/m1/s1
InChIKeyAPVQTUURIRQYIT-NRJACJQQSA-N
ChEBI Ontology
Outgoing Relation(s)
3-ADP-glyceric acid (CHEBI:16515) is a monophosphoglyceric acid (CHEBI:25405)
3-ADP-glyceric acid (CHEBI:16515) is a nucleotide-aldonic acid (CHEBI:37398)
3-ADP-glyceric acid (CHEBI:16515) is a tetronic acid derivative (CHEBI:63455)
3-ADP-glyceric acid (CHEBI:16515) is conjugate acid of 3-ADP-glycerate(3−) (CHEBI:57800)
Incoming Relation(s)
3-ADP-2-phosphoglyceric acid (CHEBI:18117) is a 3-ADP-glyceric acid (CHEBI:16515)
3-ADP-glycerate(3−) (CHEBI:57800) is conjugate base of 3-ADP-glyceric acid (CHEBI:16515)
IUPAC Names 
3-{[(adenosin-5'-yl)(hydroxy)phosphoryloxy](hydroxy)phosphoryloxy}-2-hydroxypropanoic acid
adenosine 5'-[3-(2-carboxy-2-hydroxyethyl) dihydrogen diphosphate]
Synonym  Source
3-(ADP)-glycerateKEGG COMPOUND
Manual XrefsDatabases
C02509KEGG COMPOUND