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CHEBI:44178 - NICOTINAMIDE ADENINE DINUCLEOTIDE 3-PENTANONE ADDUCT

Default Structure
ChEBI IDCHEBI:44178
ChEBI NameNICOTINAMIDE ADENINE DINUCLEOTIDE 3-PENTANONE ADDUCT
Stars
DownloadsMolfile
FormulaC26H35N7O15P2
Net Charge0
Average Mass747.548
Monoisotopic Mass747.16664
SMILES[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(n2c([H])nc3c(N([H])[H])nc([H])nc32)O[C@]1([H])C([H])([H])O[P@](=O)(O[H])O[P@](=O)([O-])OC([H])([H])[C@@]1([H])O[C@@]([H])([n+]2c([H])c([H])c([C@@]([H])(C(=O)C([H])([H])C([H])([H])[H])C([H])([H])[H])c(C(=O)N([H])[H])c2[H])[C@]([H])(O[H])[C@]1([H])O[H]
InChIInChI=1S/C26H35N7O15P2/c1-3-14(34)11(2)12-4-5-32(6-13(12)23(28)39)25-20(37)18(35)15(46-25)7-44-49(40,41)48-50(42,43)45-8-16-19(36)21(38)26(47-16)33-10-31-17-22(27)29-9-30-24(17)33/h4-6,9-11,15-16,18-21,25-26,35-38H,3,7-8H2,1-2H3,(H5-,27,28,29,30,39,40,41,42,43)/t11-,15+,16+,18+,19+,20+,21+,25+,26+/m0/s1
InChIKeyBZJFKYRGSZWSLT-YLIVDTKOSA-N
ChEBI Ontology
Outgoing Relation(s)
NICOTINAMIDE ADENINE DINUCLEOTIDE 3-PENTANONE ADDUCT (CHEBI:44178) is a unclassifieds (CHEBI:27189)
Synonym  Source
NICOTINAMIDE ADENINE DINUCLEOTIDE 3-PENTANONE ADDUCTPDBeChem
Manual XrefsDatabases
NAQPDBeChem