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futalosine

Properties

Image

Occurences in reactions

MNX_ID

MNXM3596

	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	4

formula

C₁₉H₁₇N₄O₇

charge

-1

mass

413.11027

reference

chebi:58863

InChIKey

VEDWXCWBMDQNCV-SCFUHWHPSA-M

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

SMILES

O=C([O-])c1cccc(C(=O)CC[C@H]2O[C@@H](n3cnc4c(=O)[nH]cnc43)[C@H](O)[C@@H]2O)c1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:58863 chebi:58863	futalosine 3-{3-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-1,6-dihydro-9H-purin-9-yl)tetrahydrofuran-2-yl]propanoyl}benzoate futalosinate
bigg.metabolite:fut biggM:fut kegg.compound:C16999 keggC:C16999	Futalosine
seed.compound:cpd17270 seedM:cpd17270	Futalosine 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 futalosine
metacyc.compound:CPD-10477 metacycM:CPD-10477 CHEBI:51310 chebi:51310	futalosine 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
biggM:M_fut keggC:M_C16999 seedM:M_cpd17270	secondary/obsolete/fantasy identifier