EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:77173 - α-NAD+

ChEBI IDCHEBI:77173
ChEBI Nameα-NAD+
Stars
ASCII Namealpha-NAD(+)
DefinitionA nicotinamide dinucleotide that is NAD+ in which the anomeric centre of the ribosylnicotinamide moiety has α- rather than β-configuration
Last Modified11 February 2014
SubmitterSteve
DownloadsMolfile
FormulaC21H28N7O14P2
Net Charge+1
Average Mass664.438
Monoisotopic Mass664.11640
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](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1
InChIInChI=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
InChIKeyBAWFJGJZGIEFAR-OPDHFMQKSA-O
ChEBI Ontology
Outgoing Relation(s)
α-NAD+ (CHEBI:77173) is a nicotinamide dinucleotide (CHEBI:37007)
α-NAD+ (CHEBI:77173) is conjugate acid of α-NAD(1−) (CHEBI:77017)
Incoming Relation(s)
α-NAD(1−) (CHEBI:77017) is conjugate base of α-NAD+ (CHEBI:77173)
Registry NumbersSources
Reaxys:3901331Reaxys
Citations