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

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cefazolin(1-)

	Properties	Image
MNX_ID	MNXM727295
reference	chebi:53657
formula	C₁₄H₁₃N₈O₄S₃
global charge	-1
mol weight	453.511
InChIKey	MLYYVTUWGNIJIB-BXKDBHETSA-M
InChI	InChI=1S/C14H14N8O4S3/c1-6-17-18-14(29-6)28-4-7-3-27-12-9(11(24)22(12)10(7)13(25)26)16-8(23)2-21-5-15-19-20-21/h5,9,12H,2-4H2,1H3,(H,16,23)(H,25,26)/p-1/t9-,12-/m1/s1
SMILES	CC1=NN=C(SCC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)CN4C=NN=N4)[C@H]3SC2)S1

MNX internals

InChI (mnx)	InChI=1/C14H14N8O4S3/c1-6-17-18-14(29-6)28-4-7-3-27-12-9(11(24)22(12)10(7)13(25)26)16-8(23)2-21-5-15-19-20-21/h5,9,12H,2-4H2,1H3,(H,16,23)(H,25,26)/t9-,12-/m1/s1
SMILES (mnx)	[CH3:1][C:6]1=[N:17][N:18]=[C:14]([S:28][CH2:4][C:7]2=[C:10]([C:13](=[O:25])[OH:26])[N:22]3[C:11](=[O:24])[C@@H:9]([N:16]=[C:8]([CH2:2][N:21]4[CH:5]=[N:15][N:19]=[N:20]4)[OH:23])[C@H:12]3[S:27][CH2:3]2)[S:29]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:53657 chebi:53657 MLYYVTUWGNIJIB-BXKDBHETSA-M	cefazolin(1-) (6R,7R)-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-8-oxo-7-[(1H-tetrazol-1-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate 3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-7beta-[(1H-tetrazol-1-ylacetyl)amino]-3,4-didehydrocepham-4-carboxylate
sabiork.compound:23725 sabiorkM:23725 kegg.compound:C06880 keggC:C06880 MLYYVTUWGNIJIB-BXKDBHETSA-N	Cefazolin
kegg.drug:D02299 keggD:D02299 MLYYVTUWGNIJIB-BXKDBHETSA-N	Cefazolin (USP)
hmdb:HMDB0015422 MLYYVTUWGNIJIB-BXKDBHETSA-N	Cefazolin (6R,7R)-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-8-oxo-7-[(1H-tetrazol-1-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (6R,7R)-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-8-oxo-7-[(1H-tetrazol-1-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (6R,7R)-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-8-oxo-7-[2-(1H-1,2,3,4-tetrazol-1-yl)acetamido]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (6R,7R)-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulphanyl]methyl}-8-oxo-7-[(1H-tetrazol-1-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (6R,7R)-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulphanyl]methyl}-8-oxo-7-[(1H-tetrazol-1-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Ancef CEZ Cefamedin Cefamezin Cefamezine Cefazolin sodium Cefazolina Cefazoline Cefazolinum Cephamezine Cephazolidin Cephazolin Cephazolin sodium Cephazolin, sodium Cephazoline Gramaxin Kefzol Sodium cephazolin Sodium, cefazolin Sodium, cephazolin Totacef cefazolin
seed.compound:cpd04230 seedM:cpd04230 MLYYVTUWGNIJIB-BXKDBHETSA-M	Cefazolin cefazolin
sabiork.compound:24659 sabiorkM:24659 MLYYVTUWGNIJIB-BXKDBHETSA-N	Cephazoline
metacyc.compound:CPD0-2614 metacycM:CPD0-2614 MLYYVTUWGNIJIB-BXKDBHETSA-N	cefazolin
CHEBI:474053 chebi:474053 MLYYVTUWGNIJIB-BXKDBHETSA-N	cefazolin (6R,7R)-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-8-oxo-7-[(1H-tetrazol-1-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-7beta-[(1H-tetrazol-1-ylacetyl)amino]-3,4-didehydrocepham-4-carboxylic acid CEZ Cefamezin Cephamezine Cephazolidin Cephazolin Cephazoline cefazolina cefazoline cefazolinum
hmdb:HMDB15422 chebi:3482 keggC:M_C06880 keggD:M_D02299 seedM:M_cpd04230	secondary/obsolete/fantasy identifier