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CHEBI:53655 - cefoxitin(1−)

ChEBI IDCHEBI:53655
ChEBI Namecefoxitin(1−)
Stars
ASCII Namecefoxitin(1-)
DefinitionA cephalosporin carboxylic acid anion having methoxy, 2-thienylacetamido and carbamoyloxymethyl side-groups, formed by proton loss from the carboxy group of the semisynthetic cephamycin antibiotic cefoxitin.
Last Modified27 May 2014
SubmitterSteve
DownloadsMolfile
FormulaC16H16N3O7S2
Net Charge-1
Average Mass426.452
Monoisotopic Mass426.04352
SMILES[H][C@]12SCC(COC(N)=O)=C(C(=O)[O-])N1C(=O)[C@]2(NC(=O)Cc1cccs1)OC
InChIInChI=1S/C16H17N3O7S2/c1-25-16(18-10(20)5-9-3-2-4-27-9)13(23)19-11(12(21)22)8(6-26-15(17)24)7-28-14(16)19/h2-4,14H,5-7H2,1H3,(H2,17,24)(H,18,20)(H,21,22)/p-1/t14-,16+/m1/s1
InChIKeyWZOZEZRFJCJXNZ-ZBFHGGJFSA-M
ChEBI Ontology
Outgoing Relation(s)
cefoxitin(1−) (CHEBI:53655) is a cephalosporin carboxylic acid anion (CHEBI:52440)
cefoxitin(1−) (CHEBI:53655) is conjugate base of cefoxitin (CHEBI:209807)
Incoming Relation(s)
cefoxitin (CHEBI:209807) is conjugate acid of cefoxitin(1−) (CHEBI:53655)
IUPAC Name 
3-[(carbamoyloxy)methyl]-7α-methoxy-7β-[(2-thienylacetyl)amino]-3,4-didehydrocepham-4-carboxylate
Synonym  Source
(6R,7S)-3-[(carbamoyloxy)methyl]-7-methoxy-8-oxo-7-[(2-thienylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylateIUPAC
Registry NumbersSources
Reaxys:4045290Reaxys