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CHEBI:77018 - α-NADP(3−)

Default Structure
ChEBI IDCHEBI:77018
ChEBI Nameα-NADP(3−)
Stars
ASCII Namealpha-NADP(3-)
DefinitionAn organophosphate oxoanion arising from deprotonation of the phosphate and diphosphate OH groups of α-NADP+; major species at pH 7.3.
Last Modified31 January 2014
SubmitterKAX
DownloadsMolfile
FormulaC21H25N7O17P3
Net Charge-3
Average Mass740.385
Monoisotopic Mass740.05362
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-])[C@@H]3O)[C@@H](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)/p-3/t10-,11-,13-,14-,15-,16-,20+,21-/m1/s1
InChIKeyXJLXINKUBYWONI-OPDHFMQKSA-K
ChEBI Ontology
Outgoing Relation(s)
α-NADP(3−) (CHEBI:77018) is a organophosphate oxoanion (CHEBI:58945)
α-NADP(3−) (CHEBI:77018) is conjugate base of α-NADP+ (CHEBI:77174)
Incoming Relation(s)
α-NADP+ (CHEBI:77174) is conjugate acid of α-NADP(3−) (CHEBI:77018)
Manual XrefsDatabases
CPD-16007MetaCyc
Citations