Compound Identification
SMILES
[K+].OCC1=C(N2[C@H]([C@@H](NC(=O)C(O)C3=CC=C(O)C=C3)C2=O)S(=O)(=O)C1)C([O-])=O
InChIKey
InChIKey=CUAKGCRHAYKGSA-UMSLLVMRSA-M
Formula
C16H15KN2O9S
Mass
450.46
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 Phenylacetamides 1-hydroxy-2-unsubstituted benzenoids 1,3-thiazines Sulfones Tertiary carboxylic acid amides Secondary carboxylic acid amides Secondary alcohols Azetidines Carboxylic acid salts Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Organonitrogen compounds Organic potassium salts Carbonyl compounds Organic zwitterions Primary alcohols Hydrocarbon derivatives Aromatic alcohols Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Phenylacetamide - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Meta-thiazine - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Sulfone - Azetidine - Carboxamide group - Carboxylic acid salt - Secondary alcohol - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Organic alkali metal salt - Carboxylic acid - Monocarboxylic acid or derivatives - Organic salt - Organic oxide - Organic potassium salt - Organic oxygen compound - Alcohol - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Primary alcohol - Aromatic alcohol - 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