CHEBI:57945 - NADH(2−)

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ChEBI Name NADH(2−)
ChEBI ID CHEBI:57945
ChEBI ASCII Name NADH(2-)
Definition Dianion of NADH arising from deprotonation of the two diphosphate OH groups; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C21H27N7O14P2
Net Charge -2
Average Mass 663.42510
Monoisotopic Mass 663.11022
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/h1,3-4,7-8,10-11,13-16,20-21,29-32H,2,5-6H2,(H2,23,33)(H,34,35)(H,36,37)(H2,22,24,25)/p-2/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1
InChIKey BOPGDPNILDQYTO-NNYOXOHSSA-L
SMILES NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O
Metabolite of Species Details
Saccharomyces cerevisiae (NCBI:txidtxid4932) Source: yeast.sf.net See: PubMed
Homo sapiens (NCBI:txidtxid9606) See: DOI
Roles Classification
Chemical Role(s): hydrogen donor
A molecular entity that can undergo oxidation by the loss of hydrogen atom(s).
Biological Role(s): Saccharomyces cerevisiae metabolite
Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
cofactor
An organic molecule or ion (usually a metal ion) that is required by an enzyme for its activity. It may be attached either loosely (coenzyme) or tightly (prosthetic group).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing NADH(2−) (CHEBI:57945) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
NADH(2−) (CHEBI:57945) has role cofactor (CHEBI:23357)
NADH(2−) (CHEBI:57945) has role human metabolite (CHEBI:77746)
NADH(2−) (CHEBI:57945) has role hydrogen donor (CHEBI:17499)
NADH(2−) (CHEBI:57945) is a nucleotide-sugar oxoanion (CHEBI:59737)
NADH(2−) (CHEBI:57945) is conjugate base of NADH (CHEBI:16908)
Incoming (R)-NADHX(2−) (CHEBI:64075) has functional parent NADH(2−) (CHEBI:57945)
(S)-NADHX(2−) (CHEBI:64074) has functional parent NADH(2−) (CHEBI:57945)
5'-end NADH(2−) residue (CHEBI:143948) has functional parent NADH(2−) (CHEBI:57945)
NADH (CHEBI:16908) is conjugate acid of NADH(2−) (CHEBI:57945)
IUPAC Name
adenosine 5'-{3-[1-(3-carbamoyl-1,4-dihydropyridin-1-yl)-1,4-anhydro-D-ribitol-5-yl] diphosphate}
Synonyms Sources
NADH UniProt
NADH dianion ChEBI
Registry Number Type Source
3869564 Beilstein Registry Number Beilstein
Last Modified
26 July 2019