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 663.109
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:4932) Source: yeast.sf.net See: PubMed
Homo sapiens (NCBI:9606) 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).
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 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)
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
22 August 2017