Compound Identification
SMILES
[Na+].CN1C(CO)=NN=C1SCC1=C(N2[C@H](SC1)C(NC(=O)C(=N/O)\C1=CSC(N)=N1)C2=O)C([O-])=O
InChIKey
InChIKey=HLKNVNHTSGQQCN-PDBIGOIQSA-M
Formula
C17H17N8NaO6S3
Mass
548.54
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Lactams
-
Subclass
Beta lactams
-
Level 5
Cephems
- Level 6 Cephalosporins
-
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 2-amino-1,3-thiazoles 1,3-thiazines Heteroaromatic compounds Ketoximes Triazoles Tertiary carboxylic acid amides Amino acids Carboxylic acid salts Azetidines Secondary carboxylic acid amides Carboxylic acids Monocarboxylic acids and derivatives Azacyclic compounds Thiohemiaminal derivatives Dialkylthioethers Sulfenyl compounds Carbonyl compounds Hydrocarbon derivatives Aromatic alcohols Organic oxides Organic sodium salts Organic zwitterions Primary alcohols 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 - Tertiary carboxylic acid amide - Thiazole - Ketoxime - 1,2,4-triazole - 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 - Organic oxygen compound - Organic zwitterion - Hydrocarbon derivative - Amine - Organic oxide - Organic salt - Alcohol - Organic sodium salt - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Primary alcohol - Primary amine - Aromatic alcohol - Organic nitrogen 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