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-O
Formula
C31H24N7O9S3
Mass
734.75
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
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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 Quinolines and derivatives 2,4-disubstituted thiazoles 1,3-thiazines 2-amino-1,3-thiazoles Benzenoids Dicarboxylic acids and derivatives Pyridinium derivatives Heteroaromatic compounds Thiophenes Tertiary carboxylic acid amides Amino acids Azetidines Secondary carboxylic acid amides Nitriles Thiohemiaminal derivatives Dialkylthioethers Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Primary amines Organic cations
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 - Tertiary carboxylic acid amide - Thiazole - Amino acid or derivatives - Azetidine - Carboxamide group - Amino acid - Secondary carboxylic acid amide - Thioether - Dialkylthioether - Hemithioaminal - Azacycle - Carboxylic acid derivative - Carboxylic acid - Carbonitrile - Nitrile - Hydrocarbon derivative - Organic oxygen compound - Amine - Carbonyl group - Cyanide - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organooxygen 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