EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:224955 - Chitinovorin C

ChEBI IDCHEBI:224955
ChEBI NameChitinovorin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H20N4O8S
Net Charge0
Average Mass416.412
Monoisotopic Mass416.10018
SMILESN[C@H](CCCC(=O)N[C@]1(NC=O)C(=O)N2C(C(=O)O)=C(CO)CS[C@@H]21)C(=O)O
InChIInChI=1S/C15H20N4O8S/c16-8(11(23)24)2-1-3-9(22)18-15(17-6-21)13(27)19-10(12(25)26)7(4-20)5-28-14(15)19/h6,8,14,20H,1-5,16H2,(H,17,21)(H,18,22)(H,23,24)(H,25,26)/t8-,14-,15-/m1/s1
InChIKeyRQPIYCBIFMMJEJ-KBOAJJQZSA-N
Species of MetaboliteComponentSourceComments
Flavobacterium (ncbitaxon:237) - PubMed (6549002)
Roles Classification
Biological Roles:
drug allergen  Any drug which causes the onset of an allergic reaction.
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
Application:
drug allergen  Any drug which causes the onset of an allergic reaction.
ChEBI Ontology
Outgoing Relation(s)
Chitinovorin C (CHEBI:224955) is a cephalosporin (CHEBI:23066)
IUPAC Name 
(6R,7R)-7-[[(5R)-5-amino-5-carboxypentanoyl]amino]-7-ormamido-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Manual XrefsDatabases
111495ChemSpider