CHEBI:51310 - futalosine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name futalosine
ChEBI ID CHEBI:51310
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C19H18N4O7
Net Charge 0
Average Mass 414.36898
Monoisotopic Mass 414.11755
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)/t12-,14-,15-,18-/m1/s1
InChIKey VEDWXCWBMDQNCV-SCFUHWHPSA-N
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 futalosine (CHEBI:51310) is a inosines (CHEBI:24844)
futalosine (CHEBI:51310) is conjugate acid of futalosinate (CHEBI:58863)
Incoming 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
Manual Xref Database
C16999 KEGG COMPOUND
View more database links
Last Modified
28 July 2014