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CHEBI:44517 - NICOTINAMIDE PURIN-6-OL-DINUCLEOTIDE

Default Structure
ChEBI IDCHEBI:44517
ChEBI NameNICOTINAMIDE PURIN-6-OL-DINUCLEOTIDE
Stars
DownloadsMolfile
FormulaC21H26N6O15P2
Net Charge0
Average Mass664.414
Monoisotopic Mass664.09314
SMILES[H]Oc1nc([H])nc2c1nc([H])n2[C@]1([H])O[C@]([H])(C([H])([H])O[P@@](=O)(O[H])O[P@](=O)([O-])OC([H])([H])[C@@]2([H])O[C@@]([H])([n+]3c([H])c([H])c([H])c(C(=O)N([H])[H])c3[H])[C@]([H])(O[H])[C@]2([H])O[H])[C@@]([H])(O[H])[C@@]1([H])O[H]
InChIInChI=1S/C21H26N6O15P2/c22-17(32)9-2-1-3-26(4-9)20-15(30)13(28)10(40-20)5-38-43(34,35)42-44(36,37)39-6-11-14(29)16(31)21(41-11)27-8-25-12-18(27)23-7-24-19(12)33/h1-4,7-8,10-11,13-16,20-21,28-31H,5-6H2,(H4-,22,23,24,32,33,34,35,36,37)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1
InChIKeyDGVSIBCCYUVRNA-NNYOXOHSSA-N
ChEBI Ontology
Outgoing Relation(s)
NICOTINAMIDE PURIN-6-OL-DINUCLEOTIDE (CHEBI:44517) is a unclassifieds (CHEBI:27189)
Synonym  Source
NICOTINAMIDE PURIN-6-OL-DINUCLEOTIDEPDBeChem
Manual XrefsDatabases
NHDPDBeChem