CHEBI:44215 - NAD zwitterion

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name NAD zwitterion
ChEBI ID CHEBI:44215
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:44214, CHEBI:44281, CHEBI:13393
Supplier Information
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Formula C21H27N7O14P2
Net Charge 0
Average Mass 663.42538
Monoisotopic Mass 663.109
InChI InChI=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
InChIKey BAWFJGJZGIEFAR-NNYOXOHSSA-N
SMILES NC(=O)c1ccc[n+](c1)[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
Roles Classification
Biological Role(s): fundamental metabolite
Any metabolite produced by all living cells.
(via NAD )
coenzyme
A low-molecular-weight, non-protein organic compound participating in enzymatic reactions as dissociable acceptor or donor of chemical groups or electrons.
(via NAD(P) )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing NAD zwitterion (CHEBI:44215) has functional parent deamido-NAD zwitterion (CHEBI:14105)
NAD zwitterion (CHEBI:44215) is a NAD (CHEBI:13389)
NAD zwitterion (CHEBI:44215) is conjugate base of NAD+ (CHEBI:15846)
Incoming 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 Sources
codehydrogenase I ChemIDplus
coenzyme I ChemIDplus
cozymase I ChemIDplus
diphosphopyridine nucleotide ChemIDplus
DPN ChemIDplus
nadide ChemIDplus
NICOTINAMIDE-ADENINE-DINUCLEOTIDE PDBeChem
Database Links Databases
4140 DrugCentral
NAD PDBeChem
NAH PDBeChem
View more database links
Registry Numbers Types Sources
3584133 Beilstein Registry Number ChemIDplus
53-84-9 CAS Registry Number ChemIDplus
684343 Gmelin Registry Number Gmelin
Last Modified
22 February 2017