Compound Identification
SMILES
[Na+].CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(CSC3=NN=NN3C)=C(N2C1=O)C([O-])=O)C1=CSC(N)=N1
InChIKey
InChIKey=RXYOYKDBLLALFG-FAIYLGIWSA-M
Formula
C16H16N9NaO5S3
Mass
533.53
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 Alkylarylthioethers 2,4-disubstituted thiazoles 1,3-thiazines 2-amino-1,3-thiazoles Heteroaromatic compounds Tetrazoles Tertiary carboxylic acid amides Azetidines Carboxylic acid salts Amino acids Secondary carboxylic acid amides Thiohemiaminal derivatives Dialkylthioethers Azacyclic compounds Monocarboxylic acids and derivatives Sulfenyl compounds Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic sodium salts Organic zwitterions Primary amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Aryl thioether - 2,4-disubstituted 1,3-thiazole - Alkylarylthioether - Meta-thiazine - 1,3-thiazol-2-amine - Azole - Tetrazole - Thiazole - Tertiary carboxylic acid amide - Heteroaromatic compound - Carboxamide group - Carboxylic acid salt - Amino acid or derivatives - Amino acid - Secondary carboxylic acid amide - Azetidine - Azacycle - Organic alkali metal salt - Carboxylic acid derivative - Carboxylic acid - Dialkylthioether - Monocarboxylic acid or derivatives - Sulfenyl compound - Hemithioaminal - Thioether - Hydrocarbon derivative - Amine - Organic salt - Organic oxide - Organic sodium salt - Organic zwitterion - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Primary amine - Organic nitrogen compound - Organic oxygen compound - 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