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CHEBI:77177 - α-NADPH(4−)

ChEBI IDCHEBI:77177
ChEBI Nameα-NADPH(4−)
Stars
ASCII Namealpha-NADPH(4-)
DefinitionAn organophosphate oxoanion obtained by deprotonation of the phosphate and diphosphate OH groups of α-NADPH; major species at pH 7.3.
Last Modified8 May 2014
SubmitterKAX
DownloadsMolfile
FormulaC21H26N7O17P3
Net Charge-4
Average Mass741.393
Monoisotopic Mass741.06200
SMILESNC(=O)C1=CN([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)C=CC1
InChIInChI=1S/C21H30N7O17P3/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/h1,3-4,7-8,10-11,13-16,20-21,29-31H,2,5-6H2,(H2,23,32)(H,36,37)(H,38,39)(H2,22,24,25)(H2,33,34,35)/p-4/t10-,11-,13-,14-,15-,16-,20+,21-/m1/s1
InChIKeyACFIXJIJDZMPPO-OPDHFMQKSA-J
ChEBI Ontology
Outgoing Relation(s)
α-NADPH(4−) (CHEBI:77177) is a organophosphate oxoanion (CHEBI:58945)
α-NADPH(4−) (CHEBI:77177) is conjugate base of α-NADPH (CHEBI:77312)
Incoming Relation(s)
α-NADPH (CHEBI:77312) is conjugate acid of α-NADPH(4−) (CHEBI:77177)
UniProt Name  Source
α-NADPHUniProt
Manual XrefsDatabases
CPD-16005MetaCyc