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CHEBI:157675 - cefminox(1−)

ChEBI IDCHEBI:157675
ChEBI Namecefminox(1−)
Stars
ASCII Namecefminox(1-)
DefinitionA dicarboxylic acid monoanion resulting from the deprotonation of the two carboxy groups and protonation of the primary amino group of cefminox. Major microspecies at pH 7.3.
Last Modified23 October 2020
SubmitterAdnan
DownloadsMolfile
FormulaC16H20N7O7S3
Net Charge-1
Average Mass518.579
Monoisotopic Mass518.05918
SMILES[H][C@]12SCC(CSc3nnnn3C)=C(C(=O)[O-])N1C(=O)[C@]2(NC(=O)CSC[C@@H]([NH3+])C(=O)[O-])OC
InChIInChI=1S/C16H21N7O7S3/c1-22-15(19-20-21-22)33-4-7-3-32-14-16(30-2,13(29)23(14)10(7)12(27)28)18-9(24)6-31-5-8(17)11(25)26/h8,14H,3-6,17H2,1-2H3,(H,18,24)(H,25,26)(H,27,28)/p-1/t8-,14-,16+/m1/s1
InChIKeyJSDXOWVAHXDYCU-VXSYNFHWSA-M
ChEBI Ontology
Outgoing Relation(s)
cefminox(1−) (CHEBI:157675) is a dicarboxylic acid monoanion (CHEBI:35695)
cefminox(1−) (CHEBI:157675) is conjugate base of cefminox (CHEBI:135817)
Incoming Relation(s)
cefminox sodium (CHEBI:31371) has part cefminox(1−) (CHEBI:157675)
cefminox (CHEBI:135817) is conjugate acid of cefminox(1−) (CHEBI:157675)
IUPAC Name 
(6R,7S)-7-(2-{[(2S)-2-azaniumyl-2-carboxylatoethyl]sulfanyl}acetamido)-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
Synonym  Source
cefminox anionChEBI