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CHEBI:42490 - ARABINO-FLAVIN-ADENINE DINUCLEOTIDE

Default Structure
ChEBI IDCHEBI:42490
ChEBI NameARABINO-FLAVIN-ADENINE DINUCLEOTIDE
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC27H33N9O15P2
Net Charge0
Average Mass785.557
Monoisotopic Mass785.15713
SMILES[H]O[C@]([H])([C@]([H])(O[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])(O[H])[C@]1([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(C([H])([H])[H])c([H])c21
InChIInChI=1S/C27H33N9O15P2/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)36/h3-4,8-9,14-16,19-21,26,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H,34,42,43)/t14-,15-,16-,19+,20-,21-,26-/m1/s1
InChIKeyVWWQXMAJTJZDQX-WCVIGVMNSA-N
ChEBI Ontology
Outgoing Relation(s)
ARABINO-FLAVIN-ADENINE DINUCLEOTIDE (CHEBI:42490) 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,4R)-5-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name)PDBeChem
ARABINO-FLAVIN-ADENINE DINUCLEOTIDEPDBeChem
Manual XrefsDatabases
FASPDBeChem