Compound Identification
SMILES
[I-].COP(=O)(OC)\C=C(/C(=O)N[C@H]1[C@H]2SCC(CSC3=NC=CC=[N+]3C)=C(N2C1=O)C(O)=O)C1=CSC(N)=N1
InChIKey
InChIKey=CWBDUOMRBMMMRB-NCWLAUFQSA-N
Formula
C21H24IN6O7PS3
Mass
726.52
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 2,4-disubstituted thiazoles Alkylarylthioethers Phosphonic acid diesters 1,3-thiazines 2-amino-1,3-thiazoles Phosphonic acid esters Pyrimidines and pyrimidine derivatives Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Amino acids Azetidines Thiohemiaminal derivatives Azacyclic compounds Carboxylic acids Dialkylthioethers Sulfenyl compounds Monocarboxylic acids and derivatives Organic iodide salts Carbonyl compounds Organophosphorus compounds Organic zwitterions Organic oxides Hydrocarbon derivatives 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 - Phosphonic acid diester - Meta-thiazine - Phosphonic acid ester - Pyrimidine - 1,3-thiazol-2-amine - Organophosphonic acid derivative - Heteroaromatic compound - Azole - Thiazole - Tertiary carboxylic acid amide - Amino acid - Amino acid or derivatives - Carboxamide group - Azetidine - Secondary carboxylic acid amide - Thioether - Hemithioaminal - Sulfenyl compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Dialkylthioether - Azacycle - Organic salt - Organonitrogen compound - Organooxygen compound - Organic oxide - Organophosphorus compound - Organosulfur compound - Organic nitrogen compound - Carbonyl group - Primary amine - Organic oxygen compound - Organic zwitterion - Hydrocarbon derivative - Organic iodide salt - Amine - 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