ADJ

NICOTINAMIDE-ADENINE-DINUCLEOTIDE-ADENYLATE INTERMEDIATE


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Chemical Component Summary

NameNICOTINAMIDE-ADENINE-DINUCLEOTIDE-ADENYLATE INTERMEDIATE
SynonymsNADP-A
Identifiers[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3S,4R,5R)-5-[3-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-methyl]-5,6-dihydro-2H-pyridin-1-yl]-3,4-dihydroxy-oxolan-2-yl]methyl hydrogen phosphate
FormulaC31 H44 N11 O21 P3
Molecular Weight999.663
TypeNON-POLYMER
Isomeric SMILESc1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OC(C4=CCCN(C4)[C@H]5[C@@H]([C@@H]([C@H](O5)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]6[C@H]([C@H]([C@@H](O6)n7cnc8c7ncnc8N)O)O)O)O)O)O)O)N
InChIInChI=1S/C31H44N11O21P3/c32-24-16-26(36-8-34-24)41(10-38-16)29-22(47)19(44)14(60-29)5-56-64(50,51)62-31(49)12-2-1-3-40(4-12)28-21(46)18(43)13(59-28)6-57-65(52,53)63-66(54,55)58-7-15-20(45)23(48)30(61-15)42-11-39-17-25(33)35-9-37-27(17)42/h2,8-11,13-15,18-23,28-31,43-49H,1,3-7H2,(H,50,51)(H,52,53)(H,54,55)(H2,32,34,36)(H2,33,35,37)/t13-,14-,15-,18-,19-,20-,21-,22-,23-,28-,29-,30-,31?/m1/s1
InChIKeyDBSVVYFUZBLHSN-JFLYKPBPSA-N

Chemical Details

Formal Charge0
Atom Count110
Chiral Atom Count16
Bond Count117
Aromatic Bond Count20

Related Resource References

Resource NameReference
PubChem 138753126