Compound Identification
SMILES
CO\N=C(/C(=O)NC1[C@H]2SCC(C[N+]3=CC=CC4=C3OC=C4)=C(N2C1=O)C(O)=O)C1=CSC(N)=N1
InChIKey
InChIKey=DSFHPXHPZCDKOT-GQAPOBCHSA-O
Formula
C21H19N6O6S2
Mass
515.54
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 Furopyridines 2,4-disubstituted thiazoles 1,3-thiazines Pyridinium derivatives 2-amino-1,3-thiazoles Tertiary carboxylic acid amides Furans Heteroaromatic compounds Secondary carboxylic acid amides Amino acids Azetidines Oxacyclic compounds Dialkylthioethers Carboxylic acids Azacyclic compounds Thiohemiaminal derivatives Monocarboxylic acids and derivatives Organic oxides Carbonyl compounds Primary amines Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Furopyridine - 2,4-disubstituted 1,3-thiazole - Meta-thiazine - Pyridine - Pyridinium - 1,3-thiazol-2-amine - Heteroaromatic compound - Azole - Furan - Tertiary carboxylic acid amide - Thiazole - Amino acid or derivatives - Azetidine - Carboxamide group - Amino acid - Secondary carboxylic acid amide - Thioether - Hemithioaminal - Dialkylthioether - Azacycle - Monocarboxylic acid or derivatives - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Primary amine - Organooxygen compound - Organic oxide - Carbonyl group - Organonitrogen compound - Amine - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - 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