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CHEBI:49564 - (4S)-ISONICOTINIC-ACETYL-NICOTINAMIDE-ADENINE DINUCLEOTIDE

Default Structure
ChEBI IDCHEBI:49564
ChEBI Name(4S)-ISONICOTINIC-ACETYL-NICOTINAMIDE-ADENINE DINUCLEOTIDE
Stars
DownloadsMolfile
FormulaC27H33N8O18P3
Net Charge0
Average Mass850.521
Monoisotopic Mass850.11257
SMILES[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2C([H])=C([H])[C@]([H])(C(=O)c3c([H])c([H])nc([H])c3[H])C(C(=O)N([H])[H])=C2[H])O[C@]1([H])C([H])([H])O[P@@](=O)(O[H])O[P@](=O)(O[H])OC([H])([H])[C@@]1([H])O[C@@]([H])(n2c([H])nc3c(N([H])[H])nc([H])nc32)[C@]([H])(OP(=O)(O[H])O[H])[C@]1([H])O[H]
InChIInChI=1S/C27H33N8O18P3/c28-23-17-25(32-10-31-23)35(11-33-17)27-22(52-54(41,42)43)20(38)16(51-27)9-49-56(46,47)53-55(44,45)48-8-15-19(37)21(39)26(50-15)34-6-3-13(14(7-34)24(29)40)18(36)12-1-4-30-5-2-12/h1-7,10-11,13,15-16,19-22,26-27,37-39H,8-9H2,(H2,29,40)(H,44,45)(H,46,47)(H2,28,31,32)(H2,41,42,43)/t13-,15+,16+,19+,20+,21+,22+,26+,27+/m0/s1
InChIKeyFPZCWRGJBUDVSB-BGARNJTLSA-N
ChEBI Ontology
Outgoing Relation(s)
(4S)-ISONICOTINIC-ACETYL-NICOTINAMIDE-ADENINE DINUCLEOTIDE (CHEBI:49564) is a unclassifieds (CHEBI:27189)
Synonym  Source
(4S)-ISONICOTINIC-ACETYL-NICOTINAMIDE-ADENINE DINUCLEOTIDEPDBeChem
Manual XrefsDatabases
DG1PDBeChem