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

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cephalexin

	Properties	Image
MNX_ID	MNXM46059
reference	chebi:3534
formula	C₁₆H₁₇N₃O₄S
global charge	0
mol weight	347.396
InChIKey	ZAIPMKNFIOOWCQ-UEKVPHQBSA-N
InChI	InChI=1S/C16H17N3O4S/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/h2-6,10-11,15H,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=CC=CC=C3)[C@H]2SC1

MNX internals

InChI (mnx)	InChI=1/C16H17N3O4S/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/h2-6,10-11,15H,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:5][CH:3]=[CH:2][CH:4]=[CH:6]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)	7
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:3534 chebi:3534 ZAIPMKNFIOOWCQ-UEKVPHQBSA-N	cephalexin (6R,7R)-7-{[(2R)-2-amino-2-phenylacetyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 7-(D-alpha-Aminophenylacetamido)desacetoxycephalosporanic acid 7-beta-(D-alpha-Amino-alpha-phenylacetylamino)-3-methyl-3-cephem-4-carboxylic acid 7beta-[(2R)-2-amino-2-phenylacetamido]-3-methyl-3,4-didehydrocepham-4-carboxylic acid CEX Cefalexin Celexin Cepastar Cepexin Cephacillin Ceporexin cefalexina cefalexine cefalexinum
kegg.drug:D00263 keggD:D00263 ZAIPMKNFIOOWCQ-UEKVPHQBSA-N	Cefalexin (JP18) Cephalexin Keflex (TN)
seed.compound:cpd04245 seedM:cpd04245 ZAIPMKNFIOOWCQ-UEKVPHQBSA-N	Cefalexin Carnosporin Cefaleksin Cefaseptin Cephacillin Cephalexin Cephalexine Cephalexinum Keflet Keflex cephalexin
hmdb:HMDB0014707 ZAIPMKNFIOOWCQ-UEKVPHQBSA-N	Cephalexin (6R,7R)-7-[(2R)-2-amino-2-phenylacetamido]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (6R,7R)-7-{[(2R)-2-amino-2-phenylacetyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (6R,7R)-7-{[(2R)-2-amino-2-phenylacetyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 7-(D-a-Aminophenylacetamido)desacetoxycephalosporanate 7-(D-a-Aminophenylacetamido)desacetoxycephalosporanic acid 7-(D-alpha-Aminophenylacetamido)desacetoxycephalosporanate 7-(D-alpha-Aminophenylacetamido)desacetoxycephalosporanic acid 7-(D-alpha-aminophenylacetamido)desacetoxycephalosporanate 7-(D-alpha-aminophenylacetamido)desacetoxycephalosporanic acid 7-b-(D-a-Amino-a-phenylacetylamino)-3-methyl-3-cephem-4-carboxylate 7-b-(D-a-Amino-a-phenylacetylamino)-3-methyl-3-cephem-4-carboxylic acid 7-beta-(D-alpha-Amino-alpha-phenylacetylamino)-3-methyl-3-cephem-4-carboxylate 7-beta-(D-alpha-Amino-alpha-phenylacetylamino)-3-methyl-3-cephem-4-carboxylic acid 7-beta-(D-alpha-amino-alpha-phenylacetylamino)-3-methyl-3-cephem-4-carboxylate 7-beta-(D-alpha-amino-alpha-phenylacetylamino)-3-methyl-3-cephem-4-carboxylic acid CEX Cefalessina Cefalexin Cefalexina Cefalexine Cefalexinum Celexin Cepastar Cepexin Cephacillin Cephalexin 1-hydrate Cephalexin dihydride Cephalexin hemihydrate Cephalexin hydrate Cephalexin hydrochloride Cephalexin monohydrate Cephalexin monohydrochloride Cephalexin monohydrochloride, monohydrate Cephalexin, (6R-(6alpha,7alpha(r)))-isomer Cephalexin, (6R-(6alpha,7beta(s)))-isomer Cephalexin, (6R-(6alpha,7beta))-isomer Cephalexin, monosodium salt Cephalexin, monosodium salt, (6R-(6alpha,7beta))-isomer Cephalexine Cephalexinum Ceporexin Ceporexine Dihydride, cephalexin Hemihydrate, cephalexin Hydrochloride, cephalexin Keflex Monohydrate cephalexin monohydrochloride Monohydrate, cephalexin Monohydrochloride, cephalexin Monohydrochloride, monohydrate cephalexin Monosodium salt cephalexin Palitrex cephalexin
sabiork.compound:9018 sabiorkM:9018 kegg.compound:C06895 keggC:C06895 ZAIPMKNFIOOWCQ-UEKVPHQBSA-N	Cephalexin Cefalexin
CHEBI:59392 chebi:59392 ZAIPMKNFIOOWCQ-UEKVPHQBSA-M	cephalexin(1-) (6R,7R)-7-{[(2R)-2-amino-2-phenylacetyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate 7beta-[(2R)-2-amino-2-phenylacetamido]-3-methyl-3,4-didehydrocepham-4-carboxylate cefalexin anion cefalexin(1-) cephalexin anion
metacyc.compound:CPD-9227 metacycM:CPD-9227 ZAIPMKNFIOOWCQ-UEKVPHQBSA-N	cephalexin Carnosporin Cefaleksin Cefalexin Cefaseptin Cephacillin Cephalexine Cephalexinum Keflet Keflex
hmdb:HMDB14707 keggC:M_C06895 keggD:M_D00263 seedM:M_cpd04245	secondary/obsolete/fantasy identifier