CHEBI:77017 - α-NAD(1−)

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ChEBI Name α-NAD(1−)
ChEBI ID CHEBI:77017
ChEBI ASCII Name alpha-NAD(1-)
Definition An organophosphate oxoanion obtained by deprotonation of the two diphosphate OH groups of α-NAD(1+); major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter KAX
Supplier Information
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Formula C21H26N7O14P2
Net Charge -1
Average Mass 662.41770
Monoisotopic Mass 662.10185
InChI InChI=1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p-1/t10-,11-,13-,14-,15-,16-,20+,21-/m1/s1
InChIKey BAWFJGJZGIEFAR-OPDHFMQKSA-M
SMILES NC(=O)c1ccc[n+](c1)[C@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O
ChEBI Ontology
Outgoing α-NAD(1−) (CHEBI:77017) is a organophosphate oxoanion (CHEBI:58945)
α-NAD(1−) (CHEBI:77017) is conjugate base of α-NAD+ (CHEBI:77173)
Incoming α-NAD+ (CHEBI:77173) is conjugate acid of α-NAD(1−) (CHEBI:77017)
Synonym Source
α-NAD+ UniProt
Manual Xref Database
CPD-16008 MetaCyc
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Citation Waiting for Citations Type Source
23964689 PubMed citation SUBMITTER
Last Modified
20 September 2021