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

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doxifluridine

	Properties	Image
MNX_ID	MNXM6908
reference	chebi:31521
formula	C₉H₁₁FN₂O₅
global charge	0
mol weight	246.194
InChIKey	ZWAOHEXOSAUJHY-ZIYNGMLESA-N
InChI	InChI=1S/C9H11FN2O5/c1-3-5(13)6(14)8(17-3)12-2-4(10)7(15)11-9(12)16/h2-3,5-6,8,13-14H,1H3,(H,11,15,16)/t3-,5-,6-,8-/m1/s1
SMILES	C[C@H]1O[C@@H](N2C=C(F)C(=O)NC2=O)[C@H](O)[C@@H]1O

MNX internals

InChI (mnx)	InChI=1/C9H11FN2O5/c1-3-5(13)6(14)8(17-3)12-2-4(10)7(15)11-9(12)16/h2-3,5-6,8,13-14H,1H3,(H,11,15,16)/t3-,5-,6-,8-/m1/s1
SMILES (mnx)	[CH3:1][C@@H:3]1[C@@H:5]([OH:13])[C@@H:6]([OH:14])[C@H:8]([N:12]2[CH:2]=[C:4]([F:10])[C:7]([OH:15])=[N:11][C:9]2=[O:16])[O:17]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	1

Similar chemical compounds in external resources
Identifier	Description
CHEBI:31521 chebi:31521 ZWAOHEXOSAUJHY-ZIYNGMLESA-N	doxifluridine 1-(beta-D-5-desoxyribofuranoxyl)-5-fluoruracil 5'-DFUR 5'-Dfur 5'-dFUrd 5'-deoxy-5-fluorouridine 5-fluoro-5'-deoxyuridine Doxifluridine Furtulon Ro 21-9738 Ro 219738 doxifluridina doxifluridinum
hmdb:HMDB0060406 ZWAOHEXOSAUJHY-ZIYNGMLESA-N	5'-Deoxy-5-fluorouridine 1-(b-D-5-Desoxyribofuranoxyl)-5-fluoruracil 1-(beta-D-5-Desoxyribofuranoxyl)-5-fluoruracil 1-(beta-D-5-desoxyribofuranoxyl)-5-fluoruracil 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-4-hydroxy-1,2-dihydropyrimidin-2-one 5'-DFUR 5'-DFUrd 5'-Deoxy-5'-fluorouridine 5'-Fluoro-5'-deoxyuridine 5-Fluoro-5'-deoxyuridine Doxifluridina Doxifluridine Doxifluridinum Doxyfluridine Furtulon Ro 21-9738 Ro 219738 doxifluridine
kegg.compound:C12739 keggC:C12739 ZWAOHEXOSAUJHY-ZIYNGMLESA-N	5'-Deoxy-5-fluorouridine Doxifluridine
vmhM:do5furi vmhmetabolite:do5furi ZWAOHEXOSAUJHY-ZIYNGMLESA-N	5-Deoxy-5-fluorouridine 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-4-hydroxy-1,2-dihydropyrimidin-2-one
sabiork.compound:14769 sabiorkM:14769 ZWAOHEXOSAUJHY-ZIYNGMLESA-N	Doxifluridine
kegg.drug:D01309 keggD:D01309 ZWAOHEXOSAUJHY-ZIYNGMLESA-N	Doxifluridine (JP18/INN) Furtulon (TN)
seed.compound:cpd16329 seedM:cpd16329 ZWAOHEXOSAUJHY-ZIYNGMLESA-N	Doxifluridine 5'-Deoxy-5-fluorouridine
hmdb:HMDB60406 chebi:74488 keggC:M_C12739 keggD:M_D01309 seedM:M_cpd16329 vmhM:M_do5furi	secondary/obsolete/fantasy identifier