Compound Identification
SMILES
CO\N=C(/C(=O)N[C@@H]1[C@H]2SCC(CSC3=NN=NN3C)=C(N2C1=O)C([O-])=O)C1=CSC(N)=N1
InChIKey
InChIKey=HJJDBAOLQAWBMH-YIAKCIKCSA-M
Formula
C16H16N9O5S3
Mass
510.54
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
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 2,4-disubstituted thiazoles Alkylarylthioethers 1,3-thiazines 2-amino-1,3-thiazoles Tetrazoles Tertiary carboxylic acid amides Heteroaromatic compounds Tertiary amines Secondary carboxylic acid amides Amino acids Azetidines Carboxylic acid salts Dialkylthioethers Carboxylic acids Sulfenyl compounds Thiohemiaminal derivatives Azacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Primary amines Hydrocarbon derivatives Organic oxides Organic anions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Aryl thioether - 2,4-disubstituted 1,3-thiazole - Alkylarylthioether - Meta-thiazine - 1,3-thiazol-2-amine - Azole - Heteroaromatic compound - Tertiary carboxylic acid amide - Tetrazole - Thiazole - Amino acid or derivatives - Azetidine - Amino acid - Carboxamide group - Carboxylic acid salt - Secondary carboxylic acid amide - Tertiary amine - Hemithioaminal - Thioether - Sulfenyl compound - Dialkylthioether - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organic nitrogen compound - Amine - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Primary amine - Organic anion - 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