Compound Identification
SMILES
NC1=NC(=CS1)C(=N/OC(C(O)=O)C1=C(O)C(O)=C(S1)C#N)\C(=O)N[C@H]1[C@H]2SCC(\C=C\C[N+]3=CC=CC4=CC=CC=C34)=C(N2C1=O)C([O-])=O
InChIKey
InChIKey=XNJRZQMZMCFXET-DNWQZIDLSA-N
Formula
C31H23N7O9S3
Mass
733.75
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 Quinolines and derivatives 2,4-disubstituted thiazoles Benzenoids Dicarboxylic acids and derivatives 2-amino-1,3-thiazoles 1,3-thiazines Pyridinium derivatives Thiophenes Heteroaromatic compounds Tertiary carboxylic acid amides Carboxylic acid salts Amino acids Azetidines Secondary carboxylic acid amides Nitriles Azacyclic compounds Thiohemiaminal derivatives Carboxylic acids Dialkylthioethers Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Primary amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Quinoline - 2,4-disubstituted 1,3-thiazole - Meta-thiazine - Dicarboxylic acid or derivatives - Pyridine - Pyridinium - Benzenoid - 1,3-thiazol-2-amine - Heteroaromatic compound - Thiophene - Azole - Thiazole - Tertiary carboxylic acid amide - Amino acid or derivatives - Azetidine - Secondary carboxylic acid amide - Amino acid - Carboxamide group - Carboxylic acid salt - Azacycle - Dialkylthioether - Hemithioaminal - Thioether - Carboxylic acid derivative - Carboxylic acid - Carbonitrile - Nitrile - Organic zwitterion - Organic oxygen compound - Organic salt - Amine - Carbonyl group - Cyanide - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Primary 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