Compound Identification
SMILES
CC(=O)CC(=O)OC[N+]12[C@@H](SCC=C1C(O)=O)C(NC(=O)CCCC(NC(=O)C1=CC=CC=C1)C(O)=O)C2=O
InChIKey
InChIKey=STWKIXUOPYZADZ-OBHICKGESA-O
Formula
C25H28N3O10S
Mass
562.57
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
Hippuric acids N-acyl-alpha amino acids Tricarboxylic acids and derivatives Benzoyl derivatives Beta-keto acids and derivatives Fatty acid esters N-acyl amines 1,3-thiazines 1,3-dicarbonyl compounds Quaternary ammonium salts Ketones Carboxylic acid esters Secondary carboxylic acid amides Azetidines Dialkylthioethers Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin - Hippuric acid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - Alpha-amino acid or derivatives - Benzamide - Benzoic acid or derivatives - Tricarboxylic acid or derivatives - Benzoyl - Fatty acid ester - Beta-keto acid - 1,3-dicarbonyl compound - N-acyl-amine - Fatty acyl - Fatty amide - Meta-thiazine - Monocyclic benzene moiety - Keto acid - Benzenoid - Quaternary ammonium salt - Azetidine - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Ketone - Carboxylic acid - Carboxylic acid derivative - Dialkylthioether - Azacycle - Thioether - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic cation - 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