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CHEBI:15846 - NAD+

ChEBI IDCHEBI:15846
ChEBI NameNAD+
Stars
ASCII NameNAD(+)
DefinitionThe oxidised form of nicotinamide adenine dinucleotide found in all living cells. In metabolism, NAD+ is involved in redox reactions, carrying electrons from one reaction to another.
Secondary ChEBI IDsCHEBI:7422, CHEBI:13394, CHEBI:21901, CHEBI:29867
Last Modified26 July 2019
SubmitterMarcus Ennis
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-NNYOXOHSSA-O
Species of MetaboliteComponentSourceComments
Escherichia coli (ncbitaxon:562) - PubMed (21988831)
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Biological Roles:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
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).
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
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)
NAD+ (CHEBI:15846) has functional parent deamido-NAD+ (CHEBI:18304)
NAD+ (CHEBI:15846) has role Escherichia coli metabolite (CHEBI:76971)
NAD+ (CHEBI:15846) has role cofactor (CHEBI:23357)
NAD+ (CHEBI:15846) has role mouse metabolite (CHEBI:75771)
NAD+ (CHEBI:15846) is a NAD (CHEBI:13389)
NAD+ (CHEBI:15846) is a NAD(P)+ (CHEBI:13390)
NAD+ (CHEBI:15846) is conjugate acid of NAD zwitterion (CHEBI:44215)
NAD+ (CHEBI:15846) is conjugate acid of NAD(1−) (CHEBI:57540)
Incoming Relation(s)
NAD zwitterion (CHEBI:44215) is conjugate base of NAD+ (CHEBI:15846)
NAD(1−) (CHEBI:57540) is conjugate base of NAD+ (CHEBI:15846)
IUPAC Name 
adenosine 5'-{3-[1-(3-carbamoylpyridinio)-1,4-anhydro-D-ribitol-5-yl] dihydrogen diphosphate}
Synonyms  Source
Diphosphopyridine nucleotideKEGG COMPOUND
DPNKEGG COMPOUND
NADKEGG COMPOUND
NAD+KEGG COMPOUND
NadideKEGG COMPOUND
Nicotinamide adenine dinucleotideKEGG COMPOUND
Manual XrefsDatabases
C00003KEGG COMPOUND
C00007256KNApSAcK
D00002KEGG DRUG
DB01907DrugBank
ECMDB00902ECMDB
HMDB0000902HMDB
LSM-4965LINCS
NAJPDBeChem
YMDB00110YMDB
Registry NumbersSources
Reaxys:3584133Reaxys
Beilstein:4120619Beilstein
Gmelin:544242Gmelin
CAS:53-84-9KEGG COMPOUND
CAS:53-84-9ChemIDplus