EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:94594 - LSM-5500

ChEBI IDCHEBI:94594
ChEBI NameLSM-5500
Stars
DownloadsMolfile
FormulaC16H16N4O8S
Net Charge0
Average Mass424.391
Monoisotopic Mass424.06888
SMILESCON=C(C(=O)N[C@H]1C(=O)N2C(C(=O)O)=C(COC(N)=O)CS[C@H]12)c1ccco1
InChIInChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/t10-,14+/m0/s1
InChIKeyJFPVXVDWJQMJEE-IINYFYTJSA-N
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)
LSM-5500 (CHEBI:94594) is a carbamate ester (CHEBI:23003)
LSM-5500 (CHEBI:94594) is a cephalosporin (CHEBI:23066)
Manual XrefsDatabases
LSM-5500LINCS