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

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cephradine

	Properties	Image
MNX_ID	MNXM46074
reference	chebi:3547
formula	C₁₆H₁₉N₃O₄S
global charge	0
mol weight	349.412
InChIKey	RDLPVSKMFDYCOR-UEKVPHQBSA-N
InChI	InChI=1S/C16H19N3O4S/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9/h2-3,6,10-11,15H,4-5,7,17H2,1H3,(H,18,20)(H,22,23)/t10-,11-,15-/m1/s1
SMILES	CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)C3=CCC=CC3)[C@H]2SC1

MNX internals

InChI (mnx)	InChI=1/C16H19N3O4S/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9/h2-3,6,10-11,15H,4-5,7,17H2,1H3,(H,18,20)(H,22,23)/t10-,11-,15-/m1/s1
SMILES (mnx)	[CH3:1][C:8]1=[C:12]([C:16](=[O:22])[OH:23])[N:19]2[C:14](=[O:21])[C@@H:11]([N:18]=[C:13]([C@@H:10]([C:9]3=[CH:6][CH2:4][CH:2]=[CH:3][CH2:5]3)[NH2:17])[OH:20])[C@H:15]2[S:24][CH2:7]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:3547 chebi:3547 RDLPVSKMFDYCOR-UEKVPHQBSA-N	cephradine (6R,7R)-7-((R)-2-Amino-2-(1,4-cyclohexadien-1-yl)acetamido)-3-methyl-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid (6R,7R)-7-{[(2R)-2-amino-2-cyclohexa-1,4-dien-1-ylacetyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 7-(D-2-Amino-2-(1,4-cyclohexadienyl)acetamide)desacetoxycephalosporanicacid 7beta-[(2R)-2-(cyclohexa-1,4-dienyl)-2-phenylacetamido]-3-methyl-3,4-didehydrocepham-4-carboxylic acid Anspor CED Cefradine Cephradin Cephradine Eskacef Sefril Velosef cefradina cefradine cefradinum
hmdb:HMDB0015428 RDLPVSKMFDYCOR-UEKVPHQBSA-N	Cefradine (6R,7R)-7-((R)-2-Amino-2-(1,4-cyclohexadien-1-yl)acetamido)-3-methyl-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate (6R,7R)-7-((R)-2-Amino-2-(1,4-cyclohexadien-1-yl)acetamido)-3-methyl-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid (6R,7R)-7-[(2R)-2-amino-2-(cyclohexa-1,4-dien-1-yl)acetamido]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (6R,7R)-7-{[(2R)-2-amino-2-cyclohexa-1,4-dien-1-ylacetyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (6R,7R)-7-{[(2R)-2-amino-2-cyclohexa-1,4-dien-1-ylacetyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 7-(D-2-Amino-2-(1,4-cyclohexadienyl)acetamide)desacetoxycephalosporanicacid Alpharma brand OF cephradine Anspor Bouchara brand OF cephradine Bristol-myers squibb brand OF cefradine CED Cefradina Cefradinum Cephradin Cephradine Cephradine dihydrate Cephradine, NON stoichiometric hydrate Cephradine, non-stoichiometric hydrate Dexef Dexo brand OF cephradine Dihydrate, cephradine Eskacef Galen brand OF cephradine Kelsef Maxisporin Nicef Non-stoichiometric hydrate cephradine Reig jofre brand OF cephradine Sefril Septa brand OF cephradine Septacef Squibb brand OF cephradine Velocef Velosef Yamanouchi brand OF cephradine Zeefra ge cefradine
seed.compound:cpd04247 seedM:cpd04247 RDLPVSKMFDYCOR-UEKVPHQBSA-N	Cefradine (6R,7R)-7-{[(2R)-2-amino-2-cyclohexa-1,4-dien-1-ylacetyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Anspor Cephradine Eskacef Sefril cephradine
kegg.drug:D00264 keggD:D00264 RDLPVSKMFDYCOR-UEKVPHQBSA-N	Cephradine (USP) ABBR RAD Anspor (TN) Cefradine (JAN/INN) Velosef (TN)
sabiork.compound:9020 sabiorkM:9020 kegg.compound:C06897 keggC:C06897 RDLPVSKMFDYCOR-UEKVPHQBSA-N	Cephradine Cefradine
metacyc.compound:CPD0-2068 metacycM:CPD0-2068 RDLPVSKMFDYCOR-UEKVPHQBSA-N	cephradine (6R,7R)-7-{[(2R)-2-amino-2-cyclohexa-1,4-dien-1-ylacetyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Anspor Eskacef Sefril
hmdb:HMDB15428 keggC:M_C06897 keggD:M_D00264 seedM:M_cpd04247	secondary/obsolete/fantasy identifier