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CHEBI:42509 - ALPHA-FLUORO-CARBOXYMETHYLDETHIA COENZYME A COMPLEX

Default Structure
ChEBI IDCHEBI:42509
ChEBI NameALPHA-FLUORO-CARBOXYMETHYLDETHIA COENZYME A COMPLEX
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC23H37FN7O18P3
Net Charge0
Average Mass811.500
Monoisotopic Mass811.13920
SMILES[H]OC(=O)[C@@]([H])(F)C([H])([H])C([H])([H])N([H])C(=O)C([H])([H])C([H])([H])N([H])C(=O)[C@]([H])(O[H])C(C([H])([H])[H])(C([H])([H])[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])OP(=O)(O[H])O[H]
InChIInChI=1S/C23H37FN7O18P3/c1-23(2,17(34)20(35)27-6-4-13(32)26-5-3-11(24)22(36)37)8-46-52(43,44)49-51(41,42)45-7-12-16(48-50(38,39)40)15(33)21(47-12)31-10-30-14-18(25)28-9-29-19(14)31/h9-12,15-17,21,33-34H,3-8H2,1-2H3,(H,26,32)(H,27,35)(H,36,37)(H,41,42)(H,43,44)(H2,25,28,29)(H2,38,39,40)/t11-,12+,15+,16+,17-,21+/m0/s1
InChIKeyJYRBBNPCUSRRNJ-KFJQBOOGSA-N
ChEBI Ontology
Outgoing Relation(s)
ALPHA-FLUORO-CARBOXYMETHYLDETHIA COENZYME A COMPLEX (CHEBI:42509) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(3S,5S,9R,18S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-18-fluoro-3,5,9-trihydroxy-8,8-dimethyl-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3,5-diphosphanonadecan-19-oic acid 3,5-dioxide (non-preferred name)PDBeChem
ALPHA-FLUORO-CARBOXYMETHYLDETHIA COENZYME A COMPLEXPDBeChem
Manual XrefsDatabases
FCXPDBeChem