CHEBI:95203 - (7R)-7-[[2-(2-amino-1,3-thiazol-4-yl)-2-(2-carboxypropan-2-yloxyimino)acetyl]amino]-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

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ChEBI Name (7R)-7-[[2-(2-amino-1,3-thiazol-4-yl)-2-(2-carboxypropan-2-yloxyimino)acetyl]amino]-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
ChEBI ID CHEBI:95203
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C22H23N6O7S2
Net Charge +1
Average Mass 547.587
Monoisotopic Mass 547.10642
InChI InChI=1S/C22H22N6O7S2/c1-22(2,20(33)34)35-26-13(12-10-37-21(23)24-12)16(29)25-14-17(30)28-15(19(31)32)11(9-36-18(14)28)8-27-6-4-3-5-7-27/h3-7,10,14,18H,8-9H2,1-2H3,(H4-,23,24,25,29,31,32,33,34)/p+1/t14-,18?/m1/s1
InChIKey ORFOPKXBNMVMKC-IKJXHCRLSA-O
SMILES CC(C)(C(=O)O)ON=C(C1=CSC(=N1)N)C(=O)N[C@H]2C3N(C2=O)C(=C(CS3)C[N+]4=CC=CC=C4)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 (7R)-7-[[2-(2-amino-1,3-thiazol-4-yl)-2-(2-carboxypropan-2-yloxyimino)acetyl]amino]-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (CHEBI:95203) is a cephalosporin (CHEBI:23066)
Manual Xref Database
LSM-6493 LINCS
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