Compound Identification
SMILES
CO.NC(C(=O)N[C@H]1[C@H]2SCC(CSC3=NNN=C3)=C(N2C1=O)C(O)=O)C1=CC=C(O)C=C1
InChIKey
InChIKey=YKXCIMCLADBEAA-PYZSXRIFSA-N
Formula
C19H22N6O6S2
Mass
494.54
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 Alpha amino acid amides Phenylacetamides Aralkylamines 1-hydroxy-2-unsubstituted benzenoids Alkylarylthioethers 1,3-thiazines Triazoles Tertiary carboxylic acid amides Heteroaromatic compounds Azetidines Secondary carboxylic acid amides Amino acids Dialkylthioethers Carboxylic acids Monocarboxylic acids and derivatives Sulfenyl compounds Azacyclic compounds Thiohemiaminal derivatives Carbonyl compounds Hydrocarbon derivatives Monoalkylamines Organic oxides Primary alcohols
Molecular Framework
Not available
Substituents
Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Phenylacetamide - Alpha-amino acid or derivatives - Aryl thioether - 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - Alkylarylthioether - Phenol - Monocyclic benzene moiety - Meta-thiazine - Benzenoid - Azole - Heteroaromatic compound - Tertiary carboxylic acid amide - 1,2,3-triazole - Amino acid or derivatives - Azetidine - Amino acid - Carboxamide group - Secondary carboxylic acid amide - Sulfenyl compound - Thioether - Hemithioaminal - Carboxylic acid derivative - Dialkylthioether - Monocarboxylic acid or derivatives - Carboxylic acid - Azacycle - Organosulfur compound - Primary aliphatic amine - Organonitrogen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Alcohol - Organic nitrogen compound - Primary alcohol - Primary amine - Amine - 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