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CHEBI:90171 - 2-hydro-β-NAD

ChEBI IDCHEBI:90171
ChEBI Name2-hydro-β-NAD
Stars
ASCII Name2-hydro-beta-NAD
DefinitionAn NADP obtained by formal reduction of the 1,2-position in the pyridine ring of β-NAD.
Last Modified2 November 2015
SubmitterSteve
DownloadsMolfile
FormulaC21H29N7O14P2
Net Charge0
Average Mass665.446
Monoisotopic Mass665.12477
SMILESNC(=O)C1=CC=CN([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/C21H29N7O14P2/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/h1-3,7-8,10-11,13-16,20-21,29-32H,4-6H2,(H2,23,33)(H,34,35)(H,36,37)(H2,22,24,25)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1
InChIKeyTVJJIHUATXWSJG-NNYOXOHSSA-N
Roles Classification
Biological Roles:
fundamental metabolite  Any metabolite produced by all living cells.
coenzyme  A low-molecular-weight, non-protein organic compound participating in enzymatic reactions as dissociable acceptor or donor of chemical groups or electrons.
coenzyme  A low-molecular-weight, non-protein organic compound participating in enzymatic reactions as dissociable acceptor or donor of chemical groups or electrons.
ChEBI Ontology
Outgoing Relation(s)
2-hydro-β-NAD (CHEBI:90171) is a NAD (CHEBI:13389)
2-hydro-β-NAD (CHEBI:90171) is a NAD(P)H (CHEBI:13392)
2-hydro-β-NAD (CHEBI:90171) is conjugate acid of 2-hydro-β-NAD(2−) (CHEBI:88138)
Incoming Relation(s)
2-hydro-β-NAD(2−) (CHEBI:88138) is conjugate base of 2-hydro-β-NAD (CHEBI:90171)
IUPAC Name 
adenosine 5'-{3-[1-(3-carbamoyl-1,2-dihydropyridin-1-yl)-1,4-anhydro-D-ribitol-5-yl] dihydrogen diphosphate}
Synonyms  Source
2-HNADChEBI
2-hydro-β-nicotinamide adenine dinucleotideMetaCyc
2-NADHChEBI
Manual XrefsDatabases
CPD-18088MetaCyc
Registry NumbersSources
Reaxys:23703691Reaxys
Citations