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CHEBI:45371 - 8-DEMETHYL-8-DIMETHYLAMINO-FLAVIN-ADENINE-DINUCLEOTIDE

Default Structure
ChEBI IDCHEBI:45371
ChEBI Name8-DEMETHYL-8-DIMETHYLAMINO-FLAVIN-ADENINE-DINUCLEOTIDE
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC28H36N10O15P2
Net Charge0
Average Mass814.599
Monoisotopic Mass814.18368
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[H])OC([H])([H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@@]([H])(O[H])C([H])([H])n1c2nc(=O)n([H])c(=O)c-2nc2c([H])c(C([H])([H])[H])c(N(C([H])([H])[H])C([H])([H])[H])c([H])c21
InChIInChI=1S/C28H36N10O15P2/c1-11-4-12-14(5-13(11)36(2)3)37(25-19(33-12)26(44)35-28(45)34-25)6-15(39)20(41)16(40)7-50-54(46,47)53-55(48,49)51-8-17-21(42)22(43)27(52-17)38-10-32-18-23(29)30-9-31-24(18)38/h4-5,9-10,15-17,20-22,27,39-43H,6-8H2,1-3H3,(H,46,47)(H,48,49)(H2,29,30,31)(H,35,44,45)/t15-,16+,17+,20-,21+,22+,27+/m0/s1
InChIKeyUXOZEHHQWXVTPI-MZWSMYJRSA-N
ChEBI Ontology
Outgoing Relation(s)
8-DEMETHYL-8-DIMETHYLAMINO-FLAVIN-ADENINE-DINUCLEOTIDE (CHEBI:45371) is a unclassifieds (CHEBI:27189)
Synonyms  Source
[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-[8-(dimethylamino)-7-methyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name)PDBeChem
8-DEMETHYL-8-DIMETHYLAMINO-FLAVIN-ADENINE-DINUCLEOTIDEPDBeChem
Manual XrefsDatabases
RFLPDBeChem