CHEBI:44215 - NAD zwitterion

ChEBI IDCHEBI:44215
ChEBI NameNAD zwitterion
Stars
Secondary ChEBI IDsCHEBI:13393, CHEBI:44214, CHEBI:44281
Last Modified26 October 2021
DownloadsMolfile
FormulaC21H27N7O14P2
Net Charge0
Average Mass663.430
Monoisotopic Mass663.10912
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)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1
InChIKeyBAWFJGJZGIEFAR-NNYOXOHSSA-N
Roles Classification
Biological Roles:
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.
Application:
geroprotector  Any compound that supports healthy aging, slows the biological aging process, or extends lifespan.
ChEBI Ontology
Outgoing Relation(s)
NAD zwitterion (CHEBI:44215) has functional parent deamido-NAD zwitterion (CHEBI:14105)
NAD zwitterion (CHEBI:44215) has role geroprotector (CHEBI:176497)
NAD zwitterion (CHEBI:44215) is a NAD (CHEBI:13389)
NAD zwitterion (CHEBI:44215) is conjugate base of NAD+ (CHEBI:15846)
Incoming Relation(s)
NAD+ (CHEBI:15846) is conjugate acid of NAD zwitterion (CHEBI:44215)
IUPAC Name 
adenosine 5'-{3-[1-(3-carbamoylpyridinio)-1,4-anhydro-D-ribitol-5-yl] hydrogen diphosphate}
Synonyms  Source
codehydrogenase IChemIDplus
coenzyme IChemIDplus
cozymase IChemIDplus
diphosphopyridine nucleotideChemIDplus
DPNChemIDplus
nadideChemIDplus
Manual XrefsDatabases
4140DrugCentral
NADPDBeChem
Registry NumbersSources
Beilstein:3584133Beilstein
Gmelin:684343Gmelin
CAS:53-84-9ChemIDplus
Citations