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CHEBI:59358 - cefotetan(2−)

ChEBI IDCHEBI:59358
ChEBI Namecefotetan(2−)
Stars
ASCII Namecefotetan(2-)
DefinitionThe dianion formed by removal of a proton from each of the carboxylic acid groups of cefotetan.
Last Modified6 May 2010
SubmitterGareth Owen
DownloadsMolfile
FormulaC17H15N7O8S4
Net Charge-2
Average Mass573.616
Monoisotopic Mass572.98759
SMILES[H][C@]12SCC(CSc3nnnn3C)=C(C(=O)[O-])N1C(=O)[C@]2(NC(=O)C1SC(=C(C(N)=O)C(=O)[O-])S1)OC
InChIInChI=1S/C17H17N7O8S4/c1-23-16(20-21-22-23)34-4-5-3-33-15-17(32-2,14(31)24(15)7(5)11(29)30)19-9(26)13-35-12(36-13)6(8(18)25)10(27)28/h13,15H,3-4H2,1-2H3,(H2,18,25)(H,19,26)(H,27,28)(H,29,30)/p-2/b12-6-/t13?,15-,17+/m1/s1
InChIKeySRZNHPXWXCNNDU-IXOPCIAXSA-L
ChEBI Ontology
Outgoing Relation(s)
cefotetan(2−) (CHEBI:59358) is a dicarboxylic acid dianion (CHEBI:28965)
cefotetan(2−) (CHEBI:59358) is conjugate base of cefotetan (CHEBI:3499)
Incoming Relation(s)
cefotetan disodium (CHEBI:34617) has part cefotetan(2−) (CHEBI:59358)
cefotetan (CHEBI:3499) is conjugate acid of cefotetan(2−) (CHEBI:59358)
IUPAC Names 
(6R,7S)-7-({[4-(2-amino-1-carboxylato-2-oxoethylidene)-1,3-dithietan-2-yl]carbonyl}amino)-7-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
7β-({[4-(2-amino-1-carboxylato-2-oxoethylidene)-1,3-dithietan-2-yl]carbonyl}amino)-7α-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-3,4-didehydrocepham-4-carboxylate
Synonym  Source
cefotetan dianionChEBI
Registry NumbersSources
Beilstein:5701969Beilstein