MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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futalosine

	Properties	Image
MNX_ID	MNXM3596
reference	chebi:58863
formula	C₁₉H₁₇N₄O₇
global charge	-1
mol weight	413.366
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-])C1=CC=CC(C(=O)CC[C@H]2O[C@@H](N3C=NC4=C3N=CNC4=O)[C@H](O)[C@@H]2O)=C1

MNX internals

InChI (mnx)	InChI=1/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
SMILES (mnx)	[CH:1]1=[CH:2][C:9]([C:11]([CH2:4][CH2:5][C@@H:12]2[C@@H:14]([OH:25])[C@@H:15]([OH:26])[C@H:18]([N:23]3[CH:8]=[N:22][C:13]4=[C:16]3[N:20]=[CH:7][N:21]=[C:17]4[OH:27])[O:30]2)=[O:24])=[CH:6][C:10]([C:19](=[O:28])[OH:29])=[CH:3]1

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:58863 chebi:58863 VEDWXCWBMDQNCV-SCFUHWHPSA-M	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
vmhM:ftz vmhmetabolite:ftz VEDWXCWBMDQNCV-SCFUHWHPSA-M	Futalosinate 4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol
bigg.metabolite:fut biggM:fut kegg.compound:C16999 keggC:C16999 VEDWXCWBMDQNCV-SCFUHWHPSA-N	Futalosine
seed.compound:cpd17270 seedM:cpd17270 VEDWXCWBMDQNCV-SCFUHWHPSA-M	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 VEDWXCWBMDQNCV-SCFUHWHPSA-M VEDWXCWBMDQNCV-SCFUHWHPSA-N	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 vmhM:M_ftz	secondary/obsolete/fantasy identifier