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

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cefadroxil

	Properties	Image
MNX_ID	MNXM45942
reference	chebi:3479
formula	C₁₆H₁₇N₃O₅S
global charge	0
mol weight	363.395
InChIKey	BOEGTKLJZSQCCD-UEKVPHQBSA-N
InChI	InChI=1S/C16H17N3O5S/c1-7-6-25-15-11(14(22)19(15)12(7)16(23)24)18-13(21)10(17)8-2-4-9(20)5-3-8/h2-5,10-11,15,20H,6,17H2,1H3,(H,18,21)(H,23,24)/t10-,11-,15-/m1/s1
SMILES	CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)C3=CC=C(O)C=C3)[C@H]2SC1

MNX internals

InChI (mnx)	InChI=1/C16H17N3O5S/c1-7-6-25-15-11(14(22)19(15)12(7)16(23)24)18-13(21)10(17)8-2-4-9(20)5-3-8/h2-5,10-11,15,20H,6,17H2,1H3,(H,18,21)(H,23,24)/t10-,11-,15-/m1/s1
SMILES (mnx)	[CH3:1][C:7]1=[C:12]([C:16](=[O:23])[OH:24])[N:19]2[C:14](=[O:22])[C@@H:11]([N:18]=[C:13]([C@@H:10]([C:8]3=[CH:3][CH:5]=[C:9]([OH:20])[CH:4]=[CH:2]3)[NH2:17])[OH:21])[C@H:15]2[S:25][CH2:6]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:3479 chebi:3479 BOEGTKLJZSQCCD-UEKVPHQBSA-N	cefadroxil (6R,7R)-7-{[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 7beta-{[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino}-3-methyl-3,4-didehydrocepham-4-carboxylic acid CDX Cefadroxil Cefadroxil anhydrous Cephadroxil D-Cefadroxil cefadroxilo cefadroxilum
sabiork.compound:9001 sabiorkM:9001 kegg.compound:C06878 keggC:C06878 BOEGTKLJZSQCCD-UEKVPHQBSA-N	Cefadroxil
kegg.drug:D00257 keggD:D00257 BOEGTKLJZSQCCD-UEKVPHQBSA-N	Cefadroxil (JP18) Sumacef (TN)
hmdb:HMDB0015271 BOEGTKLJZSQCCD-UEKVPHQBSA-N	Cefadroxil (6R,7R)-7-[(2R)-2-amino-2-(4-hydroxyphenyl)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-(4-hydroxyphenyl)acetyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (6R,7R)-7-{[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 4 Hydroxycephalexin 4-Hydroxycephalexin Anhydrous, cefadroxil BL S 578 BL S578 BL-S 578 BL-S578 BLS 578 Bidocef CDX Cefadroxil anhydrous Cefadroxil monohydrate Cefadroxilo Cefadroxilum Cefradroxil Cephadroxil Cephadroxyl D-Cefadroxil Duricef Monohydrate, cefadroxil Sumacef Ultracef cephadroxil
seed.compound:cpd04228 seedM:cpd04228 BOEGTKLJZSQCCD-UEKVPHQBSA-N	Cefadroxil (6R,7R)-7-{[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2R)-amino(4-hydroxyphenyl)acetyl)amino)-3-methyl-8-oxo-, (6R,7R)- cefadroxil
CHEBI:53669 chebi:53669 BOEGTKLJZSQCCD-UEKVPHQBSA-M	cefadroxil(1-) (6R,7R)-7-{[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate 7beta-{[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino}-3,4-didehydrocepham-4-carboxylate
metacyc.compound:CPD0-2070 metacycM:CPD0-2070 BOEGTKLJZSQCCD-UEKVPHQBSA-N	cefadroxil (6R,7R)-7-{[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2R)-amino(4-hydroxyphenyl)acetyl)amino)-3-methyl-8-oxo-, (6R,7R)-
hmdb:HMDB15271 keggC:M_C06878 keggD:M_D00257 seedM:M_cpd04228	secondary/obsolete/fantasy identifier