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

Feedback

cefodizime

	Properties	Image
MNX_ID	MNXM45975
reference	chebi:63214
formula	C₂₀H₂₀N₆O₇S₄
global charge	0
mol weight	584.683
InChIKey	XDZKBRJLTGRPSS-BGZQYGJUSA-N
InChI	InChI=1S/C20H20N6O7S4/c1-7-10(3-11(27)28)37-20(22-7)36-5-8-4-34-17-13(16(30)26(17)14(8)18(31)32)24-15(29)12(25-33-2)9-6-35-19(21)23-9/h6,13,17H,3-5H2,1-2H3,(H2,21,23)(H,24,29)(H,27,28)(H,31,32)/b25-12-/t13-,17-/m1/s1
SMILES	CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSC3=NC(C)=C(CC(=O)O)S3)CS[C@H]12)C1=CSC(N)=N1

MNX internals

InChI (mnx)	InChI=1/C20H20N6O7S4/c1-7-10(3-11(27)28)37-20(22-7)36-5-8-4-34-17-13(16(30)26(17)14(8)18(31)32)24-15(29)12(25-33-2)9-6-35-19(21)23-9/h6,13,17H,3-5H2,1-2H3,(H2,21,23)(H,24,29)(H,27,28)(H,31,32)/b25-12-/t13-,17-/m1/s1
SMILES (mnx)	[CH3:1][C:7]1=[C:10]([CH2:3][C:11](=[O:27])[OH:28])[S:37][C:20]([S:36][CH2:5][C:8]2=[C:14]([C:18](=[O:31])[OH:32])[N:26]3[C:16](=[O:30])[C@@H:13](/[N:24]=[C:15]([C:12](/[C:9]4=[CH:6][S:35][C:19](=[NH:21])[NH:23]4)=[N:25]\[O:33][CH3:2])\[OH:29])[C@H:17]3[S:34][CH2:4]2)=[N:22]1

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:63214 chebi:63214 XDZKBRJLTGRPSS-BGZQYGJUSA-N	cefodizime (6R,7R)-7-{[(22Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-({[5-(carboxymethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl}methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 7-{[(22Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-({[5-(carboxymethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl}methyl)-3,4-didehydrocepham-4-carboxylic acid CDZM cefodizima cefodizimum
kegg.drug:D07643 keggD:D07643 XDZKBRJLTGRPSS-BGZQYGJUSA-N	Cefodizime (INN)
hmdb:HMDB0041850 XDZKBRJLTGRPSS-BGZQYGJUSA-N	Cefodizime (6R,7R)-3-({[5-(carboxymethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl}methyl)-7-{[(2Z)-1-hydroxy-2-(2-imino-2,3-dihydro-1,3-thiazol-4-yl)-2-(methoxyimino)ethylidene]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (6R,7R)-7-{[(22Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-({[5-(carboxymethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl}methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (6R,7R)-7-{[(22Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-({[5-(carboxymethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl}methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (6R,7R)-7-{[(22Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-({[5-(carboxymethyl)-4-methyl-1,3-thiazol-2-yl]sulphanyl}methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (6R,7R)-7-{[(22Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-({[5-(carboxymethyl)-4-methyl-1,3-thiazol-2-yl]sulphanyl}methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CDZM Cefodizima Cefodizime disodium Cefodizime sodium Cefodizime, dipotassium salt, (6R-(6alpha,7beta(Z)))-isomer Cefodizime, disodium salt, (6R-(6alpha,7beta(Z)))-isomer Cefodizimum Modivid modivid
hmdb:HMDB41850 keggD:M_D07643	secondary/obsolete/fantasy identifier