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CHEBI:14105 - deamido-NAD zwitterion

Default Structure
ChEBI IDCHEBI:14105
ChEBI Namedeamido-NAD zwitterion
Stars
Last Modified14 April 2010
DownloadsMolfile
FormulaC21H26N6O15P2
Net Charge0
Average Mass664.414
Monoisotopic Mass664.09314
SMILESNc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)([O-])OC[C@H]2O[C@@H]([n+]3cccc(C(=O)O)c3)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O
InChIInChI=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
InChIKeySENPVEZBRZQVST-HISDBWNOSA-N
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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 NumbersSources
Beilstein:3865990Beilstein