Compound Identification
SMILES
CN[N+]1=CC=C(SCC2=C(N3[C@H](SC2)[C@H](NC(=O)C(=N/O[C@@H](C(O)=O)C2=CC(O)=C(O)C=C2)\C2=CSC(N)=N2)C3=O)C(O)=O)C=C1
InChIKey
InChIKey=YNDZMNDTQCDTBB-ZILOHOTNSA-O
Formula
C27H26N7O9S3
Mass
688.72
Taxonomic Classification
Taxonomy Tree
-
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
-
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 Alkylarylthioethers 1,3-thiazines Pyridinium derivatives 2-amino-1,3-thiazoles Dicarboxylic acids and derivatives Benzene and substituted derivatives Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Amino acids Azetidines Thiohemiaminal derivatives Sulfenyl compounds Dialkylthioethers Azacyclic compounds Carboxylic acids Hydrocarbon derivatives Primary amines Organic oxides Carbonyl compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Aryl thioether - Catechol - 2,4-disubstituted 1,3-thiazole - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Alkylarylthioether - Meta-thiazine - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Pyridine - Pyridinium - Benzenoid - 1,3-thiazol-2-amine - Azole - Thiazole - Tertiary carboxylic acid amide - Heteroaromatic compound - Azetidine - Carboxamide group - Amino acid - Secondary carboxylic acid amide - Amino acid or derivatives - Sulfenyl compound - Hemithioaminal - Thioether - Azacycle - Dialkylthioether - Carboxylic acid derivative - Carboxylic acid - Amine - Primary amine - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - 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