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

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cefuroxime

	Properties	Image
MNX_ID	MNXM103623
reference	chebi:3515
formula	C₁₆H₁₆N₄O₈S
global charge	0
mol weight	424.391
InChIKey	JFPVXVDWJQMJEE-IZRZKJBUSA-N
InChI	InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/b19-9-/t10-,14-/m1/s1
SMILES	CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(N)=O)CS[C@H]12)C1=CC=CO1

MNX internals

InChI (mnx)	InChI=1/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/b19-9-/t10-,14-/m1/s1
SMILES (mnx)	[CH3:1][O:26]/[N:19]=[C:9]([C:8]1=[CH:3][CH:2]=[CH:4][O:27]1)\[C:12](=[N:18]\[C@@H:10]1[C:13](=[O:22])[N:20]2[C:11]([C:15](=[O:23])[OH:24])=[C:7]([CH2:5][O:28][C:16](=[NH:17])[OH:25])[CH2:6][S:29][C@H:14]12)[OH:21]

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:3515 chebi:3515 JFPVXVDWJQMJEE-IZRZKJBUSA-N	cefuroxime (6R,7R)-3-[(carbamoyloxy)methyl]-7-{[(2Z)-2-furan-2-yl-2-(methoxyimino)acetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 3-[(carbamoyloxy)methyl]-7beta-[(2Z)-2-(furan-2-yl)-2-(methoxyimino)acetamido]-3,4-didehydrocepham-4-carboxylic acid Cefuroxim Cefuroxime Cephuroxime Sharox Zinacef Danmark cefuroximo cefuroximum
sabiork.compound:9017 sabiorkM:9017 kegg.compound:C06894 keggC:C06894 JFPVXVDWJQMJEE-IZRZKJBUSA-N	Cefuroxime
kegg.drug:D00262 keggD:D00262 JFPVXVDWJQMJEE-IZRZKJBUSA-N	Cefuroxime (USAN/INN) Cefuroxime (TN)
hmdb:HMDB0015244 JFPVXVDWJQMJEE-IZRZKJBUSA-N	Cefuroxime (6R,7R)-3-[(Carbamoyloxy)methyl]-7-{[(2Z)-2-furan-2-yl-2-(methoxyimino)acetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (6R,7R)-3-[(Carbamoyloxy)methyl]-7-{[(2Z)-2-furan-2-yl-2-(methoxyimino)acetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (6R,7R)-3-[(carbamoyloxy)methyl]-7-[(2Z)-2-(furan-2-yl)-2-(methoxyimino)acetamido]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CXM Cefuroxim Cefuroximo Cefuroximum Cephuroxime Ketocef Sharox Zinacef Zinacef danmark sharox
seed.compound:cpd04244 seedM:cpd04244 JFPVXVDWJQMJEE-IZRZKJBUSA-M	Cefuroxime (6R,7R)-3-[(carbamoyloxy)methyl]-7-{[(2Z)-2-furan-2-yl-2-(methoxyimino)acetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid cefuroxime
metacyc.compound:CPD0-2069 metacycM:CPD0-2069 JFPVXVDWJQMJEE-IZRZKJBUSA-M	cefuroxime (6R,7R)-3-[(carbamoyloxy)methyl]-7-{[(2Z)-2-furan-2-yl-2-(methoxyimino)acetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
hmdb:HMDB15244 keggC:M_C06894 keggD:M_D00262 seedM:M_cpd04244	secondary/obsolete/fantasy identifier