EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:201454 - Cefminox sodium heptahydrate

ChEBI IDCHEBI:201454
ChEBI NameCefminox sodium heptahydrate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H20N7O7S3.7H2O.Na
Net Charge0
Average Mass667.674
Monoisotopic Mass667.12236
SMILESCOC1(NC(=O)CSCC(N)C(=O)O)C(=O)N2C(C(=O)[O-])=C(CSc3nnnn3C)CSC21.O.O.O.O.O.O.O.[Na+]
InChIInChI=1S/C16H21N7O7S3.Na.7H2O/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);;7*1H2/q;+1;;;;;;;/p-1
InChIKeyQCIJKKRQPRMHOX-UHFFFAOYSA-M
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Cefminox sodium heptahydrate (CHEBI:201454) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name 
sodium;(6R,7S)-7-[[2-[(2S)-2-amino-2-carboxyethyl]sulanylacetyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;heptahydrate
Manual XrefsDatabases
24021326ChemSpider