Compound Identification
SMILES
CC1=NC2=CN=NN2C(SCC2=C(N3[C@H](SC2)[C@H](NC(=O)C(=N\OCC2=CC(O)=C(O)C=C2C(O)=O)\C2=CSC(N)=N2)C3=O)C(O)=O)=C1
InChIKey
InChIKey=ILSZIYLBIAMISR-QVNHZKGGSA-N
Formula
C27H23N9O9S3
Mass
713.72
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 Hydroxybenzoic acid derivatives Triazolopyrimidines Benzoic acids Benzoyl derivatives Catechols 1-hydroxy-2-unsubstituted benzenoids 2,4-disubstituted thiazoles Alkylarylthioethers 1,3-thiazines 2-amino-1,3-thiazoles Pyrimidines and pyrimidine derivatives Triazoles Tertiary carboxylic acid amides Heteroaromatic compounds Azetidines Amino acids Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Sulfenyl compounds Dialkylthioethers Thiohemiaminal derivatives Carbonyl compounds Organic oxides Primary amines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin - N-acyl-alpha amino acid or derivatives - Dihydroxybenzoic acid - Alpha-amino acid or derivatives - Hydroxybenzoic acid - Benzoic acid or derivatives - Benzoic acid - Triazolopyrimidine - Aryl thioether - Benzoyl - Catechol - 2,4-disubstituted 1,3-thiazole - 1-hydroxy-2-unsubstituted benzenoid - Alkylarylthioether - Phenol - Meta-thiazine - Monocyclic benzene moiety - 1,3-thiazol-2-amine - Benzenoid - Pyrimidine - Tertiary carboxylic acid amide - 1,2,3-triazole - Triazole - Thiazole - Azole - Heteroaromatic compound - Secondary carboxylic acid amide - Amino acid or derivatives - Azetidine - Amino acid - Carboxamide group - Sulfenyl compound - Hemithioaminal - Thioether - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Dialkylthioether - Azacycle - Amine - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - 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