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CHEBI:15846 - NAD+

Default Structure
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:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
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).
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