Compound Identification
SMILES
CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(C[N+]3=CC=C(C=C3)C3=CN=CO3)=C(N2C1=O)C([O-])=O)C1=CSC(N)=N1
InChIKey
InChIKey=IWIVCNVLSKNJJS-VLMZJYNESA-N
Formula
C22H19N7O6S2
Mass
541.56
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 1,3-thiazines Pyridinium derivatives 2-amino-1,3-thiazoles Tertiary carboxylic acid amides Oxazoles Heteroaromatic compounds Secondary carboxylic acid amides Amino acids Azetidines Carboxylic acid salts Thiohemiaminal derivatives Oxacyclic compounds Azacyclic compounds Carboxylic acids Dialkylthioethers Monocarboxylic acids and derivatives Carbonyl compounds Organic oxides Organic zwitterions Primary amines Organic salts Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - 2,4-disubstituted 1,3-thiazole - Meta-thiazine - Pyridine - Pyridinium - 1,3-thiazol-2-amine - Tertiary carboxylic acid amide - Thiazole - Oxazole - Heteroaromatic compound - Azole - Secondary carboxylic acid amide - Amino acid - Azetidine - Carboxylic acid salt - Carboxamide group - Amino acid or derivatives - Oxacycle - Azacycle - Carboxylic acid derivative - Dialkylthioether - Carboxylic acid - Monocarboxylic acid or derivatives - Hemithioaminal - Thioether - Amine - Organic oxide - Organic salt - Carbonyl group - Hydrocarbon derivative - Organic zwitterion - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen 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