Chemical Component Summary

NameNICOTINIC ACID ADENINE DINUCLEOTIDE
SynonymsDEAMIDO-NAD+
Identifiers1-[(2R,3R,4S,5R)-5-[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]pyridin-1-ium-3-carboxylic acid
FormulaC21 H27 N6 O15 P2
Molecular Weight665.418
TypeNON-POLYMER
Isomeric SMILESc1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)O
InChIInChI=1S/C21H26N6O15P2/c22-17-12-18(24-7-23-17)27(8-25-12)20-16(31)14(29)11(41-20)6-39-44(36,37)42-43(34,35)38-5-10-13(28)15(30)19(40-10)26-3-1-2-9(4-26)21(32)33/h1-4,7-8,10-11,13-16,19-20,28-31H,5-6H2,(H4-,22,23,24,32,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,19-,20-/m1/s1
InChIKeySENPVEZBRZQVST-HISDBWNOSA-O

Chemical Details

Formal Charge1
Atom Count71
Chiral Atom Count8
Bond Count75
Aromatic Bond Count16

Drug Info: DrugBank

DrugBank IDDB04099 
NameDeamido-Nad+
Groups experimental
SynonymsDeamido-Nad+

Drug Targets

NameTarget SequencePharmacological ActionActions
NH(3)-dependent NAD(+) synthetaseMTLQQQIIKALGAKPQINAEEEIRRSVDFLKSYLQTYPFIKSLVLGISGG...unknown
NH(3)-dependent NAD(+) synthetaseMSMQEKIMRELHVKPSIDPKQEIEDRVNFLKQYVKKTGAKGFVLGISGGQ...unknown
Nicotinamide mononucleotide adenylyltransferase 1MENSEKTEVVLLACGSFNPITNMHLRLFELAKDYMNGTGRYTVVKGIISP...unknown
Nicotinate-nucleotide adenylyltransferaseMKKIGIFGGTFDPPHNGHLLMANEVLYQAGLDEIWFMPNQIPPHKQNEDY...unknown
Nicotinamide mononucleotide adenylyltransferase 3MKSRIPVVLLACGSFNPITNMHLRMFEVARDHLHQTGMYQVIQGIISPVN...unknown
View More
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 165491
ChEBI CHEBI:18304