Structure Information
Structure

Compound Identification

SMILES

CCO\N=C(/C(=O)N[C@H]1[C@H]2SCC(SC3=NC(=CS3)C3=CC=[N+](C)C=C3)=C(N2C1=O)C([O-])=O)C1=NSC(NP(O)(O)=O)=N1

InChIKey

InChIKey=ZCCUWMICIWSJIX-NQJJCJBVSA-N

Formula

C22H21N8O8PS4

Mass

684.67

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Taxonomic Classification

Taxonomy Tree

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 Aryl thioethers 2,4-disubstituted thiazoles N-methylpyridinium compounds Vinylogous thioesters 1,3-thiazines Pyridinium derivatives Organic phosphoramides Thiadiazoles Tertiary carboxylic acid amides Heteroaromatic compounds Thioenol ethers Secondary carboxylic acid amides Azetidines Carboxylic acid salts Thiohemiaminal derivatives Sulfenyl compounds Azacyclic compounds Carboxylic acids Dialkylthioethers Monocarboxylic acids and derivatives Organic zwitterions Organopnictogen compounds Organonitrogen compounds Organic salts Hydrocarbon derivatives Carbonyl compounds Organic oxides

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 - N-methylpyridinium - Meta-thiazine - Organic phosphoric acid derivative - Pyridine - Vinylogous thioester - Organic phosphoric acid amide - Pyridinium - Azole - Heteroaromatic compound - Tertiary carboxylic acid amide - Thiadiazole - Thiazole - Thioenolether - Azetidine - Carboxamide group - Carboxylic acid salt - Secondary carboxylic acid amide - Dialkylthioether - Sulfenyl compound - Hemithioaminal - Thioether - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organic oxide - Organic nitrogen compound - Organopnictogen compound - Organic zwitterion - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic salt - 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

CHEBI:70718 : cephalosporin - iminium betaine - 1,3-thiazole - oxime O-ether - thiadiazoles - organic phosphoramidate

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