EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:52064 - methicillin(1−)

Default Structure
ChEBI IDCHEBI:52064
ChEBI Namemethicillin(1−)
Stars
ASCII Namemethicillin(1-)
Last Modified17 October 2009
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC17H19N2O6S
Net Charge-1
Average Mass379.414
Monoisotopic Mass379.09693
SMILES[H][C@]12SC(C)(C)[C@H](C(=O)[O-])N1C(=O)[C@H]2NC(=O)c1c(OC)cccc1OC
InChIInChI=1S/C17H20N2O6S/c1-17(2)12(16(22)23)19-14(21)11(15(19)26-17)18-13(20)10-8(24-3)6-5-7-9(10)25-4/h5-7,11-12,15H,1-4H3,(H,18,20)(H,22,23)/p-1/t11-,12+,15-/m1/s1
InChIKeyRJQXTJLFIWVMTO-TYNCELHUSA-M
Roles Classification
Biological Role:
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
ChEBI Ontology
Outgoing Relation(s)
methicillin(1−) (CHEBI:52064) is a penicillinate anion (CHEBI:51356)
methicillin(1−) (CHEBI:52064) is conjugate base of methicillin (CHEBI:6827)
Incoming Relation(s)
methicillin sodium (CHEBI:52065) has part methicillin(1−) (CHEBI:52064)
methicillin (CHEBI:6827) is conjugate acid of methicillin(1−) (CHEBI:52064)
IUPAC Name 
6β-(2,6-dimethoxybenzamido)-2,2-dimethylpenam-3α-carboxylate
Synonyms  Source
(2S,5R,6R)-6-[(2,6-dimethoxybenzoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylateIUPAC
6β-(2,6-dimethoxybenzamido)penicillanateChEBI
Registry NumbersSources
Beilstein:4770226Beilstein