CHEBI:94653 - LSM-5644

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name LSM-5644
ChEBI ID CHEBI:94653
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C16H15N5O7S2
Net Charge 0
Average Mass 453.452
Monoisotopic Mass 453.04129
InChI InChI=1S/C16H15N5O7S2/c1-2-6-4-29-14-10(13(25)21(14)11(6)15(26)27)19-12(24)9(20-28-3-8(22)23)7-5-30-16(17)18-7/h2,5,10,14H,1,3-4H2,(H2,17,18)(H,19,24)(H,22,23)(H,26,27)/t10-,14+/m0/s1
InChIKey OKBVVJOGVLARMR-IINYFYTJSA-N
SMILES C=CC1=C(N2[C@@H]([C@H](C2=O)NC(=O)C(=NOCC(=O)O)C3=CSC(=N3)N)SC1)C(=O)O
Roles Classification
Biological Role(s): drug allergen
Any drug which causes the onset of an allergic reaction.
(via cephalosporin )
antimicrobial agent
A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
(via heterocyclic antibiotic )
Application(s): drug allergen
Any drug which causes the onset of an allergic reaction.
(via cephalosporin )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing LSM-5644 (CHEBI:94653) is a cephalosporin (CHEBI:23066)
Manual Xref Database
LSM-5644 LINCS
View more database links