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

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levofloxacin

	Properties	Image
MNX_ID	MNXM60010
reference	chebi:63598
formula	C₁₈H₂₀FN₃O₄
global charge	0
mol weight	361.373
InChIKey	GSDSWSVVBLHKDQ-JTQLQIEISA-N
InChI	InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)/t10-/m0/s1
SMILES	C[C@H]1COC2=C3C(=CC(F)=C2N2CCN(C)CC2)C(=O)C(C(=O)O)=CN31

MNX internals

InChI (mnx)	InChI=1/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)/t10-/m0/s1
SMILES (mnx)	[CH3:1][C@H:10]1[CH2:9][O:26][C:17]2=[C:14]3[C:11](=[CH:7][C:13]([F:19])=[C:15]2[N:21]2[CH2:5][CH2:3][N:20]([CH3:2])[CH2:4][CH2:6]2)[C:16](=[O:23])[C:12]([C:18](=[O:24])[OH:25])=[CH:8][N:22]13

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:63598 chebi:63598 GSDSWSVVBLHKDQ-JTQLQIEISA-N	levofloxacin (-)-Ofloxacin (-)-ofloxacin (3S)-(-)-9-fluoro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-2,3-dihydro-7H-pyrido[1,2,3-de][1,4]benzoxazine-6-carboxylic acid (3S)-9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid (S)-(-)-9-fluoro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-2,3-dihydro-7H-pyrido[1,2,3-de][1,4]benzooxazine-6-carboxylic acid (S)-9-Fluoro-2,3-dihydro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-7H-pyrido(1,2,3-de)-1,4-benzoxazine-6-carboxylic acid (S)-ofloxacin DR 3355 DR-3355 L-ofloxacin Ofloxacin S-(-)-form S-(-)-ofloxacin levofloxacine levofloxacino levofloxacinum
kegg.drug:D08120 keggD:D08120 GSDSWSVVBLHKDQ-JTQLQIEISA-N	Levofloxacin (INN) Cravit (TN) Levaquin (TN)
hmdb:HMDB0001929 GSDSWSVVBLHKDQ-JTQLQIEISA-N	Levofloxacin (-)-Ofloxacin (2S)-7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.0^{5,13}]trideca-5(13),6,8,11-tetraene-11-carboxylic acid (3S)-(-)-9-Fluoro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-2,3-dihydro-7H-pyrido[1,2,3-de][1,4]benzoxazine-6-carboxylate (3S)-(-)-9-Fluoro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-2,3-dihydro-7H-pyrido[1,2,3-de][1,4]benzoxazine-6-carboxylic acid (S)-(-)-9-Fluoro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-2,3-dihydro-7H-pyrido[1,2,3-de][1,4]benzooxazine-6-carboxylate (S)-(-)-9-Fluoro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-2,3-dihydro-7H-pyrido[1,2,3-de][1,4]benzooxazine-6-carboxylic acid (S)-9-Fluoro-2,3-dihydro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-7H-pyrido(1,2,3-de)-1,4-benzoxazine-6-carboxylate (S)-9-Fluoro-2,3-dihydro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-7H-pyrido(1,2,3-de)-1,4-benzoxazine-6-carboxylic acid (S)-Ofloxacin Anhydrous, levofloxacin Cravit Floxin L-Ofloxacin Levaquin Levofloxacin anhydrous Levofloxacin hydrate Levofloxacine Levofloxacino Levofloxacinum Ofloxacin Ofloxacin S-(-)-form Ofloxacin, (S)-isomer Quixin
seed.compound:cpd04821 seedM:cpd04821 sabiork.compound:9764 sabiorkM:9764 kegg.compound:C07660 keggC:C07660 GSDSWSVVBLHKDQ-JTQLQIEISA-N	Levofloxacin Ofloxacin S-(-)-form
CHEBI:231553 chebi:231553 GSDSWSVVBLHKDQ-JTQLQIEISA-M	levofloxacin(1-) (3S)-9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylate levofloxacin anion
metacyc.compound:CPD-26179 metacycM:CPD-26179 GSDSWSVVBLHKDQ-JTQLQIEISA-N	levofloxacin (-)-ofloxacin (3S)-(-)-9-fluoro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-2,3-dihydro-7H-pyrido[1,2,3-de][1,4]benzoxazine-6-carboxylic acid (3S)-9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid (S)-(-)-9-fluoro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-2,3-dihydro-7H-pyrido[1,2,3-de][1,4]benzooxazine-6-carboxylic acid (S)-9-fluoro-2,3-dihydro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-7H-pyrido(1,2,3-de)-1,4-benzoxazine-6-carboxylic acid (S)-ofloxacin L-ofloxacin Levaquin Tavanic levofloxacine levofloxacino levofloxacinum ofloxacin S-(-)-form
hmdb:HMDB01929 chebi:6440 keggC:M_C07660 keggD:M_D08120 seedM:M_cpd04821	secondary/obsolete/fantasy identifier