Compound Identification
SMILES
NC1=NC(=NS1)C(=N\OC1CCC=C1)\C(=O)NC1[C@H]2SCC(CSC3=NN=NN3CCO)=C(N2C1=O)C(O)=O
InChIKey
InChIKey=WOPMMWBUGHLMJK-QSWOLAJBSA-N
Formula
C20H22N10O6S3
Mass
594.64
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
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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 Alkylarylthioethers 1,3-thiazines Thiadiazoles Tetrazoles Tertiary carboxylic acid amides Heteroaromatic compounds Amino acids Azetidines Secondary carboxylic acid amides Monocarboxylic acids and derivatives Sulfenyl compounds Dialkylthioethers Carboxylic acids Alkanolamines Azacyclic compounds Thiohemiaminal derivatives Hydrocarbon derivatives Carbonyl compounds Primary amines Organic oxides Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Aryl thioether - Alkylarylthioether - Meta-thiazine - Azole - Tertiary carboxylic acid amide - Tetrazole - Thiadiazole - Heteroaromatic compound - Amino acid - Secondary carboxylic acid amide - Azetidine - Carboxamide group - Amino acid or derivatives - Hemithioaminal - Thioether - Carboxylic acid - Monocarboxylic acid or derivatives - Alkanolamine - Sulfenyl compound - Dialkylthioether - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Primary alcohol - Primary amine - Hydrocarbon derivative - Amine - Organic oxide - Organic oxygen compound - 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