EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:201379 - Cephalosporin C Zinc Salt

ChEBI IDCHEBI:201379
ChEBI NameCephalosporin C Zinc Salt
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H19N3O7S.Zn
Net Charge0
Average Mass462.799
Monoisotopic Mass461.02351
SMILESCC(=O)CC1=C(C(=O)[O-])N2C(=O)C(NC(=O)CCCC(N)C(=O)[O-])C2SC1.[Zn+2]
InChIInChI=1S/C16H21N3O7S.Zn/c1-7(20)5-8-6-27-14-11(13(22)19(14)12(8)16(25)26)18-10(21)4-2-3-9(17)15(23)24;/h9,11,14H,2-6,17H2,1H3,(H,18,21)(H,23,24)(H,25,26);/q;+2/p-2
InChIKeyPSYCCUYAGLBVKG-UHFFFAOYSA-L
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Cephalosporin C Zinc Salt (CHEBI:201379) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name 
zinc;(6R,7R)-7-[[(5R)-5-amino-5-carboxylatopentanoyl]amino]-8-oxo-3-(2-oxopropyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Manual XrefsDatabases
32077046ChemSpider