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

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oxacillin

	Properties	Image
MNX_ID	MNXM159104
reference	chebi:7809
formula	C₁₉H₁₉N₃O₅S
global charge	0
mol weight	401.444
InChIKey	UWYHMGVUTGAWSP-JKIFEVAISA-N
InChI	InChI=1S/C19H19N3O5S/c1-9-11(12(21-27-9)10-7-5-4-6-8-10)15(23)20-13-16(24)22-14(18(25)26)19(2,3)28-17(13)22/h4-8,13-14,17H,1-3H3,(H,20,23)(H,25,26)/t13-,14+,17-/m1/s1
SMILES	CC1=C(C(=O)N[C@@H]2C(=O)N3[C@@H]2SC(C)(C)[C@@H]3C(=O)O)C(C2=CC=CC=C2)=NO1

MNX internals

InChI (mnx)	InChI=1/C19H19N3O5S/c1-9-11(12(21-27-9)10-7-5-4-6-8-10)15(23)20-13-16(24)22-14(18(25)26)19(2,3)28-17(13)22/h4-8,13-14,17H,1-3H3,(H,20,23)(H,25,26)/t13-,14+,17-/m1/s1
SMILES (mnx)	[CH3:1][C:9]1=[C:11]([C:15](=[N:20][C@@H:13]2[C:16](=[O:24])[N:22]3[C@@H:14]([C:18](=[O:25])[OH:26])[C:19]([CH3:2])([CH3:3])[S:28][C@H:17]23)[OH:23])[C:12]([C:10]2=[CH:7][CH:5]=[CH:4][CH:6]=[CH:8]2)=[N:21][O:27]1

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:7809 chebi:7809 UWYHMGVUTGAWSP-JKIFEVAISA-N	oxacillin (2S,5R,6R)-3,3-dimethyl-6-{[(5-methyl-3-phenylisoxazol-4-yl)carbonyl]amino}-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (5-methyl-3-phenyl-4-isoxazolyl)penicillin 2,2-dimethyl-6beta-(5-methyl-3-phenyl-1,2-oxazole-4-carboxamido)penam-3alpha-carboxylic acid 5-methyl-3-phenyl-4-isoxazolyl-penicillin 6beta-(5-methyl-3-phenylisoxazol-4-yl)penicillanic acid Oxacillin oxazocillin
sabiork.compound:9444 sabiorkM:9444 kegg.compound:C07334 keggC:C07334 UWYHMGVUTGAWSP-JKIFEVAISA-N	Oxacillin
kegg.drug:D08307 keggD:D08307 UWYHMGVUTGAWSP-JKIFEVAISA-N	Oxacillin (INN) Oxacilina (TN)
hmdb:HMDB0014851 UWYHMGVUTGAWSP-JKIFEVAISA-N	Oxacillin (2S,5R,6R)-3,3-Dimethyl-6-{[(5-methyl-3-phenylisoxazol-4-yl)carbonyl]amino}-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate (2S,5R,6R)-3,3-Dimethyl-6-{[(5-methyl-3-phenylisoxazol-4-yl)carbonyl]amino}-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (2S,5R,6R)-3,3-dimethyl-6-(5-methyl-3-phenyl-1,2-oxazole-4-amido)-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (5-Methyl-3-phenyl-4-isoxazolyl)penicillin 5-Methyl-3-phenyl-4-isoxazolyl-penicillin 6b-(5-Methyl-3-phenylisoxazol-4-yl)penicillanate 6b-(5-Methyl-3-phenylisoxazol-4-yl)penicillanic acid 6beta-(5-Methyl-3-phenylisoxazol-4-yl)penicillanate 6beta-(5-Methyl-3-phenylisoxazol-4-yl)penicillanic acid 6beta-(5-methyl-3-phenylisoxazol-4-yl)penicillanate 6beta-(5-methyl-3-phenylisoxazol-4-yl)penicillanic acid Methylphenylisoxazolyl penicillin Oxacilina Oxacillin sodium Oxacillin, monosodium salt, anhydrous Oxacillin, monosodium salt, monohydrate Oxacillin, sodium Oxazocillin Oxazocilline Penicillin, methylphenylisoxazolyl Prostaphlin Sodium oxacillin Sodium, oxacillin oxacillin
seed.compound:cpd04538 seedM:cpd04538 UWYHMGVUTGAWSP-JKIFEVAISA-M	Oxacillin Bristopen Micropenin Oxabel Prostaphlin Resistopen Stapenor Staphcillin V oxacillin
CHEBI:52132 chebi:52132 UWYHMGVUTGAWSP-JKIFEVAISA-M	oxacillin(1-) 2,2-dimethyl-6beta-(5-methyl-3-phenyl-1,2-oxazole-4-carboxamido)penam-3alpha-carboxylate 6beta-(5-methyl-3-phenylisoxazol-4-yl)penicillanate
metacyc.compound:CPD-9224 metacycM:CPD-9224 UWYHMGVUTGAWSP-JKIFEVAISA-M	oxacillin Bristopen Micropenin Oxabel Prostaphlin Resistopen Stapenor Staphcillin V
hmdb:HMDB14851 keggC:M_C07334 keggD:M_D08307 seedM:M_cpd04538	secondary/obsolete/fantasy identifier