Compound Identification
SMILES
NC(C(=O)N[C@@H]1[C@@H]2SCC(CSC3=NNN=C3)=C(N2C1=O)C(O)=O)C1=CC=C(O)C=C1
InChIKey
InChIKey=UOCJDOLVGGIYIQ-JSSGYJEFSA-N
Formula
C18H18N6O5S2
Mass
462.5
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Lactams
-
Subclass
Beta lactams
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Level 5
Cephems
- Level 6 Cephalosporins
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Level 5
Cephems
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Subclass
Beta lactams
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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 Alpha amino acid amides Phenylacetamides 1-hydroxy-2-unsubstituted benzenoids Alkylarylthioethers Aralkylamines 1,3-thiazines Triazoles Tertiary carboxylic acid amides Heteroaromatic compounds Azetidines Secondary carboxylic acid amides Amino acids Thiohemiaminal derivatives Dialkylthioethers Carboxylic acids Azacyclic compounds Sulfenyl compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Monoalkylamines Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Phenylacetamide - Alpha-amino acid or derivatives - Aryl thioether - 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - Alkylarylthioether - Phenol - Monocyclic benzene moiety - Meta-thiazine - Benzenoid - Azole - Heteroaromatic compound - Tertiary carboxylic acid amide - 1,2,3-triazole - Amino acid or derivatives - Azetidine - Amino acid - Carboxamide group - Secondary carboxylic acid amide - Thioether - Hemithioaminal - Sulfenyl compound - Dialkylthioether - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Carboxylic acid - Organosulfur compound - Primary aliphatic amine - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Primary amine - Organic nitrogen compound - Organooxygen 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