Compound Identification
SMILES
CO\N=C(\C(=O)N[C@@H]1[C@H]2SCC(CSC3=NN(CC#C)N=N3)=C(N2C1=O)C(O)=O)C1=CSC(NC=O)=N1
InChIKey
InChIKey=CGCRIFJOEOVLBT-QGEKPWAMSA-N
Formula
C19H17N9O6S3
Mass
563.58
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 N-arylamides 2,4-disubstituted thiazoles Alkylarylthioethers 1,3-thiazines Tetrazoles Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Azetidines Dialkylthioethers Carboxylic acids Sulfenyl compounds Azacyclic compounds Thiohemiaminal derivatives Acetylides Monocarboxylic acids and derivatives Organic oxides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Aryl thioether - N-arylamide - 2,4-disubstituted 1,3-thiazole - Alkylarylthioether - Meta-thiazine - Azole - Tertiary carboxylic acid amide - Tetrazole - Thiazole - Heteroaromatic compound - Secondary carboxylic acid amide - Azetidine - Carboxamide group - Thioether - Azacycle - Acetylide - Dialkylthioether - Sulfenyl compound - Hemithioaminal - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur 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