CHEBI:58863 - futalosinate

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ChEBI Name futalosinate
ChEBI ID CHEBI:58863
Definition A 5-oxo monocarboxylic acid anion that is the conjugate base of futalosine.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C19H17N4O7
Net Charge -1
Average Mass 413.36090
Monoisotopic Mass 413.11027
InChI InChI=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
InChIKey VEDWXCWBMDQNCV-SCFUHWHPSA-M
SMILES O[C@@H]1[C@@H](CCC(=O)c2cccc(c2)C([O-])=O)O[C@H]([C@@H]1O)n1cnc2c1nc[nH]c2=O
ChEBI Ontology
Outgoing futalosinate (CHEBI:58863) is a 5-oxo monocarboxylic acid anion (CHEBI:35975)
futalosinate (CHEBI:58863) is conjugate base of futalosine (CHEBI:51310)
Incoming 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
Synonym Source
futalosine UniProt
Last Modified
06 June 2012