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cefotetan

PropertiesImage
MNX_IDMNXM1107844 Image of MNXM1107844
referencechebi:3499
formulaC17H17N7O8S4
global charge0
mol weight575.632
InChIKeySRZNHPXWXCNNDU-IXOPCIAXSA-N
InChIInChI=1S/C17H17N7O8S4/c1-23-16(20-21-22-23)34-4-5-3-33-15-17(32-2,14(31)24(15)7(5)11(29)30)19-9(26)13-35-12(36-13)6(8(18)25)10(27)28/h13,15H,3-4H2,1-2H3,(H2,18,25)(H,19,26)(H,27,28)(H,29,30)/b12-6-/t13?,15-,17+/m1/s1
SMILESCO[C@@]1(NC(=O)C2SC(=C(C(N)=O)C(=O)O)S2)C(=O)N2C(C(=O)O)=C(CSC3=NN=NN3C)CS[C@@H]21
MNX internals
InChI (mnx)InChI=1/C17H17N7O8S4/c1-23-16(20-21-22-23)34-4-5-3-33-15-17(32-2,14(31)24(15)7(5)11(29)30)19-9(26)13-35-12(36-13)6(8(18)25)10(27)28/h13,15H,3-4H2,1-2H3,(H2,18,25)(H,19,26)(H,27,28)(H,29,30)/b12-6?/t13?,15-,17+/m1/s1 Image of MNXM1107844
SMILES (mnx)[CH3:1][N:23]1[C:16]([S:34][CH2:4][C:5]2=[C:7]([C:11](=[O:29])[OH:30])[N:24]3[C:14](=[O:31])[C@:17]([N:19]=[C:9]([CH:13]4[S:35][C:12](=[C:6]([C:8](=[NH:18])[OH:25])[C:10](=[O:27])[OH:28])[S:36]4)[OH:26])([O:32][CH3:2])[C@H:15]3[S:33][CH2:3]2)=[N:20][N:21]=[N:22]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
IdentifierDescription

CHEBI:3499
chebi:3499
SRZNHPXWXCNNDU-IXOPCIAXSA-N 		cefotetan
(6R,7S)-7-(4-(carbamoylcarboxymethylene)-1,3-dithiethane-2-carboxamido)-7-methoxy-3-(((1-methyl-1H-tetrazol-5- yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2- carboxylic acid
(6R,7S)-7-({[4-(2-amino-1-carboxy-2-oxoethylidene)-1,3-dithietan-2-yl]carbonyl}amino)-7-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
7beta-({[4-(2-amino-1-carboxy-2-oxoethylidene)-1,3-dithietan-2-yl]carbonyl}amino)-7alpha-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-3,4-didehydrocepham-4-carboxylic acid
Cefotetan
cefotetanum

seed.compound:cpd04236
seedM:cpd04236
sabiork.compound:24747
sabiorkM:24747
kegg.compound:C06886
keggC:C06886
SRZNHPXWXCNNDU-IXOPCIAXSA-N
SRZNHPXWXCNNDU-RHBCBLIFSA-L
SRZNHPXWXCNNDU-RHBCBLIFSA-N 		Cefotetan

kegg.drug:D00260
keggD:D00260
SRZNHPXWXCNNDU-IXOPCIAXSA-N 		Cefotetan (JP18/USP/INN)
hmdb:HMDB0015425
SRZNHPXWXCNNDU-IXOPCIAXSA-N 		Cefotetan
(6R,7S)-7-(4-(Carbamoylcarboxymethylene)-1,3-dithiethane-2-carboxamido)-7-methoxy-3-(((1-methyl-1H-tetrazol-5- yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2- carboxylate
(6R,7S)-7-(4-(Carbamoylcarboxymethylene)-1,3-dithiethane-2-carboxamido)-7-methoxy-3-(((1-methyl-1H-tetrazol-5- yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2- carboxylic acid
(6R,7S)-7-{4-[carbamoyl(carboxy)methylidene]-1,3-dithietane-2-amido}-7-methoxy-3-{[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CTT
Cefotetanum
cefotetan

CHEBI:59358
chebi:59358
SRZNHPXWXCNNDU-IXOPCIAXSA-L 		cefotetan(2-)
(6R,7S)-7-({[4-(2-amino-1-carboxylato-2-oxoethylidene)-1,3-dithietan-2-yl]carbonyl}amino)-7-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
7beta-({[4-(2-amino-1-carboxylato-2-oxoethylidene)-1,3-dithietan-2-yl]carbonyl}amino)-7alpha-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-3,4-didehydrocepham-4-carboxylate
cefotetan dianion

hmdb:HMDB15425
chebi:558729
keggC:M_C06886
keggD:M_D00260
seedM:M_cpd04236 		secondary/obsolete/fantasy identifier