Search MNXref
 Feedback

cefamandole

PropertiesImage
MNX_IDMNXM153219 Image of MNXM153219
referencechebi:3480
formulaC18H18N6O5S2
global charge0
mol weight462.513
InChIKeyOLVCFLKTBJRLHI-AXAPSJFSSA-N
InChIInChI=1S/C18H18N6O5S2/c1-23-18(20-21-22-23)31-8-10-7-30-16-11(15(27)24(16)12(10)17(28)29)19-14(26)13(25)9-5-3-2-4-6-9/h2-6,11,13,16,25H,7-8H2,1H3,(H,19,26)(H,28,29)/t11-,13-,16-/m1/s1
SMILESCN1N=NN=C1SCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](O)C3=CC=CC=C3)[C@H]2SC1
MNX internals
InChI (mnx)InChI=1/C18H18N6O5S2/c1-23-18(20-21-22-23)31-8-10-7-30-16-11(15(27)24(16)12(10)17(28)29)19-14(26)13(25)9-5-3-2-4-6-9/h2-6,11,13,16,25H,7-8H2,1H3,(H,19,26)(H,28,29)/t11-,13-,16-/m1/s1 Image of MNXM153219
SMILES (mnx)[CH3:1][N:23]1[C:18]([S:31][CH2:8][C:10]2=[C:12]([C:17](=[O:28])[OH:29])[N:24]3[C:15](=[O:27])[C@@H:11]([N:19]=[C:14]([C@@H:13]([C:9]4=[CH:5][CH:3]=[CH:2][CH:4]=[CH:6]4)[OH:25])[OH:26])[C@H:16]3[S:30][CH2:7]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:3480
chebi:3480
OLVCFLKTBJRLHI-AXAPSJFSSA-N 		cefamandole
(6R,7R)-7-(R)-Mandelamido-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-carboxylic acid
(6R,7R)-7-{[(2R)-2-hydroxy-2-phenylacetyl]amino}-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-[(2R)-2-hydroxy-2-phenylacetamido]-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}ceph-3-em-4-carboxylic acid
Cefadole
Cephadole
Cephamandole
L-Cefamandole
cefamandol
cefamandolum

sabiork.compound:23730
sabiorkM:23730
kegg.compound:C06879
keggC:C06879
OLVCFLKTBJRLHI-AXAPSJFSSA-N 		Cefamandole

kegg.drug:D02344
keggD:D02344
OLVCFLKTBJRLHI-AXAPSJFSSA-N 		Cefamandole (USAN/INN)
hmdb:HMDB0015421
OLVCFLKTBJRLHI-AXAPSJFSSA-N 		Cefamandole
(6R,7R)-7-(R)-Mandelamido-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-carboxylate
(6R,7R)-7-(R)-Mandelamido-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-carboxylic acid
(6R,7R)-7-[(2R)-2-hydroxy-2-phenylacetamido]-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
(6R,7R)-7-{[(2R)-2-hydroxy-2-phenylacetyl]amino}-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
(6R,7R)-7-{[(2R)-2-hydroxy-2-phenylacetyl]amino}-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
(6R,7R)-7-{[(2R)-2-hydroxy-2-phenylacetyl]amino}-3-{[(1-methyl-1H-tetrazol-5-yl)sulphanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
(6R,7R)-7-{[(2R)-2-hydroxy-2-phenylacetyl]amino}-3-{[(1-methyl-1H-tetrazol-5-yl)sulphanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CMD
Cefadole
Cefamandol
Cefamandole nafate
Cefamandolum
Cephadole
Cephamandole
Compound 83405
L-Cefamandole
cefamandole

seed.compound:cpd04229
seedM:cpd04229
OLVCFLKTBJRLHI-AXAPSJFSSA-M 		Cefamandole
(6R,7R)-7-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
cefamandole

CHEBI:53652
chebi:53652
OLVCFLKTBJRLHI-AXAPSJFSSA-M 		cefamandole(1-)
(6R,7R)-7-{[(2R)-2-hydroxy-2-phenylacetyl]amino}-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
7beta-[(2R)-2-hydroxy-2-phenylacetamido]-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}ceph-3-em-4-carboxylate

metacyc.compound:CPD0-2066
metacycM:CPD0-2066
OLVCFLKTBJRLHI-AXAPSJFSSA-N 		cefamandole
(6R,7R)-7-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

hmdb:HMDB15421
keggC:M_C06879
keggD:M_D02344
seedM:M_cpd04229 		secondary/obsolete/fantasy identifier