Compound Identification
SMILES
CC(C)(O\N=C(/C(=O)NC1C2SCC(C[N+]3=CC=CC=C3)=C(N2C1=O)C([O-])=O)C1=CSC(N)=N1)C(O)=O
InChIKey
InChIKey=ORFOPKXBNMVMKC-ZMFRSBBQSA-N
Formula
C22H22N6O7S2
Mass
546.57
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Lactams
-
Subclass
Beta lactams
-
Level 5
Cephems
- Level 6 Cephalosporins
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Level 5
Cephems
-
Subclass
Beta lactams
-
Class
Lactams
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Lactams
Subclass
Beta lactams
Intermediate Tree Nodes
Cephems
Direct Parent
Cephalosporins
Alternative Parents
N-acyl-alpha amino acids and derivatives 2,4-disubstituted thiazoles 1,3-thiazines Pyridinium derivatives 2-amino-1,3-thiazoles Dicarboxylic acids and derivatives Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Amino acids Azetidines Carboxylic acid salts Dialkylthioethers Carboxylic acids Thiohemiaminal derivatives Azacyclic compounds Carbonyl compounds Primary amines Organic zwitterions Organic salts Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - 2,4-disubstituted 1,3-thiazole - Meta-thiazine - Pyridine - Pyridinium - Dicarboxylic acid or derivatives - 1,3-thiazol-2-amine - Heteroaromatic compound - Tertiary carboxylic acid amide - Thiazole - Azole - Amino acid - Amino acid or derivatives - Azetidine - Secondary carboxylic acid amide - Carboxylic acid salt - Carboxamide group - Azacycle - Dialkylthioether - Carboxylic acid derivative - Carboxylic acid - Hemithioaminal - Thioether - Organic zwitterion - Organic oxide - Organic oxygen compound - Carbonyl group - Organic salt - Organic nitrogen compound - Amine - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as cephalosporins. These are compounds containing a 1,2-thiazine fused to a 2-azetidinone to for a oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid moiety or a derivative thereof.
External Descriptors
Not available