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CHEBI:52441 - cefonicid(2−)

ChEBI IDCHEBI:52441
ChEBI Namecefonicid(2−)
Stars
ASCII Namecefonicid(2-)
Last Modified15 May 2009
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC18H16N6O8S3
Net Charge-2
Average Mass540.561
Monoisotopic Mass540.02027
SMILES[H][C@]12SCC(CSc3nnnn3CS(=O)(=O)[O-])=C(C(=O)[O-])N1C(=O)[C@H]2NC(=O)[C@H](O)c1ccccc1
InChIInChI=1S/C18H18N6O8S3/c25-13(9-4-2-1-3-5-9)14(26)19-11-15(27)24-12(17(28)29)10(6-33-16(11)24)7-34-18-20-21-22-23(18)8-35(30,31)32/h1-5,11,13,16,25H,6-8H2,(H,19,26)(H,28,29)(H,30,31,32)/p-2/t11-,13-,16-/m1/s1
InChIKeyDYAIAHUQIPBDIP-AXAPSJFSSA-L
ChEBI Ontology
Outgoing Relation(s)
cefonicid(2−) (CHEBI:52441) is a cephalosporin carboxylic acid anion (CHEBI:52440)
cefonicid(2−) (CHEBI:52441) is conjugate base of cefonicid (CHEBI:3491)
Incoming Relation(s)
cefonicid sodium (CHEBI:3492) has part cefonicid(2−) (CHEBI:52441)
cefonicid (CHEBI:3491) is conjugate acid of cefonicid(2−) (CHEBI:52441)
IUPAC Name 
6β-[(2R)-2-hydroxy-2-phenylacetamido]-3-({[1-(sulfonatomethyl)-1H-tetrazol-5-yl]sulfanyl}methyl)ceph-3-em-4-carboxylate
Synonym  Source
(6R,7R)-7-{[(2R)-2-hydroxy-2-phenylacetyl]amino}-8-oxo-3-({[1-(sulfonatomethyl)-1H-tetrazol-5-yl]sulfanyl}methyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylateIUPAC
Registry NumbersSources
Beilstein:8372103Beilstein