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CHEBI:189429 - Beta NADP

ChEBI IDCHEBI:189429
ChEBI NameBeta NADP
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H28N7O17P3
Net Charge0
Average Mass743.409
Monoisotopic Mass743.07545
SMILESNC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)([O-])OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@@H](OP(=O)(O)O)C3O)C(O)[C@@H]2O)c1
InChIInChI=1S/C21H28N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39)/t10-,11-,13?,14?,15+,16+,20-,21-/m1/s1
InChIKeyXJLXINKUBYWONI-WWRWIPRPSA-N
Species of MetaboliteComponentSourceComments
Arabidopsis thaliana (ncbitaxon:3702) guard cell (BTO:0000544) MetaboLights (MTBLS1326)
ChEBI Ontology
Outgoing Relation(s)
Beta NADP (CHEBI:189429) is a dinucleotide (CHEBI:47885)
IUPAC Name 
[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,4S,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate
Manual XrefsDatabases
113613648ChemSpider