CHEBI:14105 - deamido-NAD zwitterion

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name deamido-NAD zwitterion
ChEBI ID CHEBI:14105
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C21H26N6O15P2
Net Charge 0
Average Mass 664.41010
Monoisotopic Mass 664.09314
InChI InChI=1S/C21H26N6O15P2/c22-17-12-18(24-7-23-17)27(8-25-12)20-16(31)14(29)11(41-20)6-39-44(36,37)42-43(34,35)38-5-10-13(28)15(30)19(40-10)26-3-1-2-9(4-26)21(32)33/h1-4,7-8,10-11,13-16,19-20,28-31H,5-6H2,(H4-,22,23,24,32,33,34,35,36,37)/t10-,11-,13-,14-,15-,16-,19-,20-/m1/s1
InChIKey SENPVEZBRZQVST-HISDBWNOSA-N
SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)[n+]2cccc(c2)C(O)=O)[C@@H](O)[C@H]1O
ChEBI Ontology
Outgoing deamido-NAD zwitterion (CHEBI:14105) is a nicotinic acid dinucleotide (CHEBI:37584)
deamido-NAD zwitterion (CHEBI:14105) is conjugate acid of deamido-NAD(2−) (CHEBI:58437)
deamido-NAD zwitterion (CHEBI:14105) is conjugate base of deamido-NAD+ (CHEBI:18304)
Incoming NAD zwitterion (CHEBI:44215) has functional parent deamido-NAD zwitterion (CHEBI:14105)
deamido-NAD+ (CHEBI:18304) is conjugate acid of deamido-NAD zwitterion (CHEBI:14105)
deamido-NAD(2−) (CHEBI:58437) is conjugate base of deamido-NAD zwitterion (CHEBI:14105)
IUPAC Name
adenosine 5'-{3-[1-(3-carboxypyridinio)-1,4-anhydro-D-ribitol-5-yl] hydrogen diphosphate}
Registry Number Type Source
3865990 Beilstein Registry Number Beilstein
Last Modified
14 April 2010