Compound Identification
SMILES
COC1=CC=[N+](CC2=C(N3[C@@H](SC2)[C@H](NC(=O)C(=N\OCC#C)\C2=NSC(N)=N2)C3=O)C([O-])=O)C=C1
InChIKey
InChIKey=YFBADXJVVCLHRC-ROXUQJQNSA-N
Formula
C21H19N7O6S2
Mass
529.55
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 Alkyl aryl ethers 1,3-thiazines Pyridinium derivatives Heteroaromatic compounds Thiadiazoles Tertiary carboxylic acid amides Carboxylic acid salts Amino acids Azetidines Secondary carboxylic acid amides Thiohemiaminal derivatives Monocarboxylic acids and derivatives Azacyclic compounds Dialkylthioethers Acetylides Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Primary amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Alkyl aryl ether - Meta-thiazine - Pyridinium - Pyridine - Tertiary carboxylic acid amide - Thiadiazole - Heteroaromatic compound - Azole - Carboxylic acid salt - Carboxamide group - Azetidine - Amino acid - Secondary carboxylic acid amide - Amino acid or derivatives - Acetylide - Azacycle - Carboxylic acid derivative - Dialkylthioether - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Hemithioaminal - Thioether - Amine - Organic nitrogen compound - Organic salt - Organic oxide - Organic zwitterion - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Primary amine - Carbonyl group - 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