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CHEBI:51310 - futalosine

ChEBI IDCHEBI:51310
ChEBI Namefutalosine
Stars
Last Modified28 July 2014
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC19H18N4O7
Net Charge0
Average Mass414.374
Monoisotopic Mass414.11755
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)/t12-,14-,15-,18-/m1/s1
InChIKeyVEDWXCWBMDQNCV-SCFUHWHPSA-N
ChEBI Ontology
Outgoing Relation(s)
futalosine (CHEBI:51310) is a inosines (CHEBI:24844)
futalosine (CHEBI:51310) is conjugate acid of futalosinate (CHEBI:58863)
Incoming Relation(s)
cyclic dehypoxanthinylfutalosine (CHEBI:64252) has functional parent futalosine (CHEBI:51310)
dehypoxanthine futalosine (CHEBI:51312) has functional parent futalosine (CHEBI:51310)
futalosinate (CHEBI:58863) is conjugate base of futalosine (CHEBI:51310)
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}benzoic acid
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C16999KEGG COMPOUND