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CHEBI:58863 - futalosinate

ChEBI IDCHEBI:58863
ChEBI Namefutalosinate
Stars
DefinitionA 5-oxo monocarboxylic acid anion that is the conjugate base of futalosine.
Last Modified6 June 2012
DownloadsMolfile
FormulaC19H17N4O7
Net Charge-1
Average Mass413.366
Monoisotopic Mass413.11027
SMILESO=C([O-])c1cccc(C(=O)CC[C@H]2O[C@@H](n3cnc4c(=O)ncnc43)[C@H](O)[C@@H]2O)c1
InChIInChI=1S/C19H18N4O7/c24-11(9-2-1-3-10(6-9)19(28)29)4-5-12-14(25)15(26)18(30-12)23-8-22-13-16(23)20-7-21-17(13)27/h1-3,6-8,12,14-15,18,25-26H,4-5H2,(H,28,29)(H,20,21,27)/p-1/t12-,14-,15-,18-/m1/s1
InChIKeyVEDWXCWBMDQNCV-SCFUHWHPSA-M
ChEBI Ontology
Outgoing Relation(s)
futalosinate (CHEBI:58863) is a 5-oxo monocarboxylic acid anion (CHEBI:35975)
futalosinate (CHEBI:58863) is conjugate base of futalosine (CHEBI:51310)
Incoming Relation(s)
cyclic dehypoxanthinylfutalosinate(1−) (CHEBI:64270) has functional parent futalosinate (CHEBI:58863)
futalosine (CHEBI:51310) is conjugate acid of futalosinate (CHEBI:58863)
IUPAC Name 
3-{3-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-1,6-dihydro-9H-purin-9-yl)tetrahydrofuran-2-yl]propanoyl}benzoate
UniProt Name  Source
futalosineUniProt