Nicotinic acid adenine dinucleotide,小分子代谢物

Nicotinic acid adenine dinucleotide

SMPDB_ID

SMP0000243

通道名称

4-Hydroxybutyric Aciduria/Succinic Semialdehyde Dehydrogenase Deficiency

通路

Disease

代谢物ID

PW_C000915

CAS号

6450-77-7

公式

C21H27N6O15P2

HMDB_ID

HMDB0001179

KEGG_ID

C00857

ChEBI_ID

18304

DrugBank_ID

IUPAC

1-[(2R,3R,4S,5R)-5-[({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)methyl]-3,4-dihydroxyoxolan-2-yl]-3-carboxy-1浣嶉垿?pyridin-1-ylium

微笑

NC1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]4O[C@H]([C@H](O)[C@@H]4O)[N+]4=CC=CC(=C4)C(O)=O)[C@@H](O)[C@H]3O)C2=NC=N1

InChI

InChI=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

InChI关键

SENPVEZBRZQVST-HISDBWNOSA-O