Compound Identification
SMILES
[Na+].NC1=NC(=CS1)C(=N\O[C@H](C([O-])=O)C1=CC(O)=C(O)C=C1)\C(=O)N[C@H]1[C@H]2SCC(\C=C\C[N+]3=CN=C(N)C=C3)=C(N2C1=O)C([O-])=O
InChIKey
InChIKey=IQRNKHGBBUQTHR-HYZUNPTJSA-M
Formula
C27H23N8NaO9S2
Mass
690.64
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Lactams
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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 Catechols 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 2,4-disubstituted thiazoles Aminopyrimidines and derivatives 2-amino-1,3-thiazoles Benzene and substituted derivatives 1,3-thiazines Dicarboxylic acids and derivatives Imidolactams Heteroaromatic compounds Tertiary carboxylic acid amides Carboxylic acid salts Secondary carboxylic acid amides Azetidines Amino acids Dialkylthioethers Carboxylic acids Azacyclic compounds Thiohemiaminal derivatives Organic zwitterions Primary amines Carbonyl compounds Organic sodium salts Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Catechol - 2,4-disubstituted 1,3-thiazole - 1-hydroxy-2-unsubstituted benzenoid - Aminopyrimidine - Phenol - 1-hydroxy-4-unsubstituted benzenoid - Pyrimidine - Benzenoid - Meta-thiazine - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - 1,3-thiazol-2-amine - Imidolactam - Tertiary carboxylic acid amide - Heteroaromatic compound - Thiazole - Azole - Amino acid or derivatives - Amino acid - Azetidine - Carboxamide group - Carboxylic acid salt - Secondary carboxylic acid amide - Thioether - Dialkylthioether - Hemithioaminal - Azacycle - Organic alkali metal salt - Carboxylic acid - Carboxylic acid derivative - Organonitrogen compound - Organic nitrogen compound - Amine - Carbonyl group - Organic sodium salt - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic zwitterion - Primary amine - Organic salt - 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