Marvin  05061015482D          

 31 33  0  0  1  0            999 V2000
   19.7333  -15.9694    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   20.8851  -16.6344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8851  -17.9644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7333  -18.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5815  -16.6344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5815  -17.9644    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.2515  -17.9644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2515  -16.6344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0997  -18.6294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.7333  -19.9594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8851  -20.6244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.5815  -20.6244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.0369  -18.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1888  -17.9644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0997  -15.9694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.9479  -16.6344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7960  -15.9694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9479  -17.9644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6442  -16.6344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7960  -14.6394    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.9479  -13.9744    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9479  -12.6444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0997  -11.9794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2515  -12.6444    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0997  -10.6494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5052  -17.9571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2043  -18.2336    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.5393  -17.0818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4292  -16.0934    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2165  -16.9428    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.5719  -15.5113    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 13 14  2  0  0  0  0
  6  7  1  0  0  0  0
  8 15  1  1  0  0  0
  7  8  1  0  0  0  0
 15 16  1  0  0  0  0
  8  5  1  0  0  0  0
 16 17  1  0  0  0  0
  2  3  1  0  0  0  0
 16 18  2  0  0  0  0
  7  9  2  0  0  0  0
 17 19  1  0  0  0  0
  3  4  2  0  0  0  0
 17 20  2  0  0  0  0
  5  6  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 10 11  1  0  0  0  0
 22 23  1  0  0  0  0
 10 12  2  0  0  0  0
 23 24  1  0  0  0  0
  4 10  1  0  0  0  0
 23 25  2  0  0  0  0
 19 26  2  0  0  0  0
  6  4  1  0  0  0  0
  5  1  1  0  0  0  0
  3 13  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 19  1  0  0  0  0
  1  2  1  0  0  0  0
 28 30  1  0  0  0  0
  5 31  1  6  0  0  0
M  END
> <ID>
CHEBI:472657

> <NAME>
cefixime

> <DEFINITION>
A third-generation cephalosporin antibiotic bearing vinyl and (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(carboxymethoxy)imino]acetamido groups at positions 3 and 7, respectively, of the cephem skeleton. It is used in the treatment of gonorrhoea, tonsilitis, pharyngitis, bronchitis, and urinary tract infections.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:3487

> <SYNONYM>
(6R,7R)-7-({(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(carboxymethoxy)imino]acetyl}amino)-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (-)-cefixim

> <IUPAC_NAME>
7beta-{(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(carboxymethoxy)imino]acetamido}-3-ethenyl-3,4-didehydrocepham-4-carboxylic acid

> <INN>
cefiximum; cefixime; cefixima

> <FORMULA>
C16H15N5O7S2

> <MASS>
453.45000

> <MONOISOTOPIC_MASS>
453.04129

> <CHARGE>
0

> <SMILES>
[H][C@]12SCC(C=C)=C(N1C(=O)[C@H]2NC(=O)C(=N/OCC(O)=O)\c1csc(N)n1)C(O)=O

> <INCHI>
InChI=1S/C16H15N5O7S2/c1-2-6-4-29-14-10(13(25)21(14)11(6)15(26)27)19-12(24)9(20-28-3-8(22)23)7-5-30-16(17)18-7/h2,5,10,14H,1,3-4H2,(H2,17,18)(H,19,24)(H,22,23)(H,26,27)/b20-9-/t10-,14-/m1/s1

> <INCHIKEY>
OKBVVJOGVLARMR-QSWIMTSFSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
6025058

> <CAS_REGISTRY_NUMBER>
79350-37-1

> <CHEMIDPLUS>
79350-37-1

> <DRUGBANK_ACCESSION>
DB00671

> <KEGG_COMPOUND_ACCESSION>
C06881

> <KEGG_DRUG_ACCESSION>
D00258

> <PUBMED_CITATION>
17116681; 29017833

$$$$