7-[[2-amino-2-(4-hydroxyphenyl)-1-oxoethyl]amino]-8-oxo-3-prop-1-enyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (CHEBI:110193)

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ChEBI Name	7-[[2-amino-2-(4-hydroxyphenyl)-1-oxoethyl]amino]-8-oxo-3-prop-1-enyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

ChEBI ID	CHEBI:110193

Stars	This entity has been manually annotated by a third party.

Supplier Information	No supplier information found for this compound.

Download	Molfile XML SDF

Formula

C18H19N3O5S

Net Charge

Average Mass

389.427

Monoisotopic Mass

389.10454

InChI

InChI=1S/C18H19N3O5S/c1-2-3-10-8-27-17-13(16(24)21(17)14(10)18(25)26)20-15(23)12(19)9-4-6-11(22)7-5-9/h2-7,12-13,17,22H,8,19H2,1H3,(H,20,23)(H,25,26)

InChIKey

WDLWHQDACQUCJR-UHFFFAOYSA-N

SMILES

CC=CC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)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 )

ChEBI Ontology
Outgoing	7-[[2-amino-2-(4-hydroxyphenyl)-1-oxoethyl]amino]-8-oxo-3-prop-1-enyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (CHEBI:110193) is a cephalosporin (CHEBI:23066)