Chemical Component Summary

NameCEPHALOTHIN GROUP
Identifiers(2R)-5-(2-methoxy-2-oxo-ethyl)-2-[(1R)-2-oxo-1-(2-thiophen-2-ylethanoylamino)ethyl]-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
FormulaC16 H18 N2 O6 S2
Molecular Weight398.454
TypeNON-POLYMER
Isomeric SMILESCOC(=O)CC1=C(N[C@H](SC1)[C@@H](C=O)NC(=O)Cc2cccs2)C(=O)O
InChIInChI=1S/C16H18N2O6S2/c1-24-13(21)5-9-8-26-15(18-14(9)16(22)23)11(7-19)17-12(20)6-10-3-2-4-25-10/h2-4,7,11,15,18H,5-6,8H2,1H3,(H,17,20)(H,22,23)/t11-,15-/m1/s1
InChIKeyUUWFGEKEQSCSMB-IAQYHMDHSA-N

Chemical Details

Formal Charge0
Atom Count44
Chiral Atom Count2
Bond Count45
Aromatic Bond Count5

Drug Info: DrugBank

DrugBank IDDB03450 
NameCephalothin Group
Groups experimental
DescriptionCephalothin group is a solid. This compound belongs to the 1,3-thiazines. These are organic compounds containing 1,3-thiazine, a six-member ring with a nitrogen and a sulfur atom in ring positions 1 and 3 respectively, as well as two double bonds. This substance is known to target beta-lactamase Toho-1 and D-alanyl-D-alanine carboxypeptidase.
SynonymsCephalothin Group
CategoriesNephrotoxic agents

Drug Targets

NameTarget SequencePharmacological ActionActions
D-alanyl-D-alanine carboxypeptidaseMVSGTVGRGTALGAVLLALLAVPAQAGTAAAADLPAPDDTGLQAVLHTAL...unknown
Beta-lactamase Toho-1MMTQSIRRSMLTVMATLPLLFSSATLHAQANSVQQQLEALEKSSGGRLGV...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 46936680