Compound Identification
SMILES
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=QKOSXBIZQCMHCO-UZKQIQFESA-O
Formula
C21H24N6O7PS3
Mass
599.61
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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Class
Lactams
-
Subclass
Beta lactams
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Level 5
Cephems
- Level 6 Cephalosporins
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Level 5
Cephems
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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 Pyrimidines and pyrimidine derivatives Phosphonic acid esters Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Amino acids Azetidines Dialkylthioethers Carboxylic acids Thiohemiaminal derivatives Azacyclic compounds Sulfenyl compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organophosphorus compounds Carbonyl compounds Primary amines Organic oxides Organic cations
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 - Phosphonic acid diester - Alkylarylthioether - Meta-thiazine - Phosphonic acid ester - Pyrimidine - 1,3-thiazol-2-amine - Tertiary carboxylic acid amide - Thiazole - Organophosphonic acid derivative - Heteroaromatic compound - Azole - Secondary carboxylic acid amide - Amino acid - Azetidine - Carboxamide group - Amino acid or derivatives - Azacycle - Dialkylthioether - Carboxylic acid derivative - Carboxylic acid - Sulfenyl compound - Monocarboxylic acid or derivatives - Hemithioaminal - Thioether - Hydrocarbon derivative - Amine - Organic oxide - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organophosphorus compound - Organosulfur compound - Primary amine - Organic cation - 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