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

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cefprozil

	Properties	Image
MNX_ID	MNXM736492
reference	chebi:3506
formula	C₁₈H₁₉N₃O₅S
global charge	0
mol weight	389.433
InChIKey	WDLWHQDACQUCJR-PBFPGSCMSA-N
InChI	InChI=1S/C18H19N3O5S/c1-2-3-10-8-27-17-13(16(24)21(17)14(10)18(25)26)20-15(23)12(19)9-4-6-11(22)7-5-9/h2-7,12-13,17,22H,8,19H2,1H3,(H,20,23)(H,25,26)/t12-,13-,17-/m1/s1
SMILES	CC=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/C18H19N3O5S/c1-2-3-10-8-27-17-13(16(24)21(17)14(10)18(25)26)20-15(23)12(19)9-4-6-11(22)7-5-9/h2-7,12-13,17,22H,8,19H2,1H3,(H,20,23)(H,25,26)/b3-2?/t12-,13-,17-/m1/s1
SMILES (mnx)	[CH3:1][CH:2]=[CH:3][C:10]1=[C:14]([C:18](=[O:25])[OH:26])[N:21]2[C:16](=[O:24])[C@@H:13]([N:20]=[C:15]([C@@H:12]([C:9]3=[CH:5][CH:7]=[C:11]([OH:22])[CH:6]=[CH:4]3)[NH2:19])[OH:23])[C@H:17]2[S:27][CH2:8]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:3506 chebi:3506 WDLWHQDACQUCJR-PBFPGSCMSA-N	cefprozil (6R,7R)-7-{[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino}-8-oxo-3-(prop-1-en-1-yl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Cefprozil anhydrous Cefzil cefprozilo cefprozilum
hmdb:HMDB0015281 WDLWHQDACQUCJR-PBFPGSCMSA-N	Cefprozil (6R,7R)-7-[(2R)-2-amino-2-(4-hydroxyphenyl)acetamido]-8-oxo-3-(prop-1-en-1-yl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 7-(2-Amino-2-(4-hydroxyphenyl)acetamido)-3-(propenyl)-3-cephem-4-carboxylic acid monohydrate 7-(2-Amino-2-(p-hydroxyphenyl)acetamido)-8-oxo-3-(1-propenyl)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid Arzimol Brisoral Cefprozil anhydrous Cefprozil monohydrate Cefprozilo Cefprozilum Cefzil Procef cefprozilo
sabiork.compound:9011 sabiorkM:9011 WDLWHQDACQUCJR-PBFPGSCMSA-N	Cefprozil Cefprozil anhydrous
hmdb:HMDB15281	secondary/obsolete/fantasy identifier