EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:168201 - Guanosine diphosphate adenosine

ChEBI IDCHEBI:168201
ChEBI NameGuanosine diphosphate adenosine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H26N10O14P2
Net Charge0
Average Mass692.432
Monoisotopic Mass692.11052
SMILESNc1nc(=O)c2ncn([C@@H]3O[C@H](COP(=O)(O)O[C@H]4[C@@H](OP(=O)(O)O)[C@H](n5cnc6c(N)ncnc65)O[C@@H]4CO)[C@@H](O)[C@H]3O)c2n1
InChIInChI=1S/C20H26N10O14P2/c21-14-8-15(24-3-23-14)29(4-25-8)19-13(43-45(35,36)37)12(6(1-31)41-19)44-46(38,39)40-2-7-10(32)11(33)18(42-7)30-5-26-9-16(30)27-20(22)28-17(9)34/h3-7,10-13,18-19,31-33H,1-2H2,(H,38,39)(H2,21,23,24)(H2,35,36,37)(H3,22,27,28,34)/t6-,7-,10-,11-,12-,13-,18-,19-/m1/s1
InChIKeyLHSVDZHIRYSVJP-INFSMZHSSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Guanosine diphosphate adenosine (CHEBI:168201) is a (3'→5')-dinucleotide (CHEBI:48637)
IUPAC Name 
[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-phosphonooxyoxolan-3-yl] hydrogen phosphate
Manual XrefsDatabases
HMDB0001501HMDB
8637730ChemSpider