CHEBI:90171 - 2-hydro-β-NAD

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ChEBI Name 2-hydro-β-NAD
ChEBI ID CHEBI:90171
ChEBI ASCII Name 2-hydro-beta-NAD
Definition An NADP obtained by formal reduction of the 1,2-position in the pyridine ring of β-NAD.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C21H29N7O14P2
Net Charge 0
Average Mass 665.442
Monoisotopic Mass 665.12477
InChI InChI=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
InChIKey TVJJIHUATXWSJG-NNYOXOHSSA-N
SMILES N1(C2=C(C(=NC=N2)N)N=C1)[C@@H]3O[C@H](COP(OP(OC[C@H]4O[C@@H](N5CC(=CC=C5)C(=O)N)[C@@H]([C@@H]4O)O)(=O)O)(=O)O)[C@H]([C@H]3O)O
Roles Classification
Biological Role(s): fundamental metabolite
Any metabolite produced by all living cells.
(via NAD )
coenzyme
A low-molecular-weight, non-protein organic compound participating in enzymatic reactions as dissociable acceptor or donor of chemical groups or electrons.
(via NAD(P) )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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 Sources
2-HNAD ChEBI
2-hydro-β-nicotinamide adenine dinucleotide MetaCyc
2-NADH ChEBI
Manual Xref Database
CPD-18088 MetaCyc
View more database links
Registry Number Type Source
23703691 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
25531177 PubMed citation Europe PMC
Last Modified
02 November 2015