Compound Identification
SMILES
CC(C)(O\N=C(/C(=O)N[C@H]1[C@H]2SCC(SC3=NN=NN3CC3=CC(=O)C(O)=CN3O)=C(N2C1=O)C(O)=O)C1=NSC(N)=N1)C(O)=O
InChIKey
InChIKey=BXQITWQKIHHHBA-CLLYUGPASA-N
Formula
C22H21N11O10S3
Mass
695.66
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
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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 Aryl thioethers Dihydropyridines Hydroxypyridines Vinylogous thioesters 1,3-thiazines Dicarboxylic acids and derivatives Vinylogous amides Thiadiazoles Heteroaromatic compounds Tetrazoles Tertiary carboxylic acid amides Amino acids Thioenol ethers Cyclic ketones Azetidines Secondary carboxylic acid amides Azacyclic compounds Thiohemiaminal derivatives Dialkylthioethers Carboxylic acids Sulfenyl compounds Hydrocarbon derivatives Organic oxides Primary amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Aryl thioether - Hydroxypyridine - Dihydropyridine - Meta-thiazine - Dicarboxylic acid or derivatives - Vinylogous thioester - Hydropyridine - Pyridine - Azole - Heteroaromatic compound - Vinylogous amide - Thiadiazole - Tertiary carboxylic acid amide - Tetrazole - Amino acid or derivatives - Azetidine - Carboxamide group - Amino acid - Cyclic ketone - Secondary carboxylic acid amide - Thioenolether - Thioether - Hemithioaminal - Sulfenyl compound - Carboxylic acid derivative - Carboxylic acid - Azacycle - Dialkylthioether - Organic oxide - Organic oxygen compound - Amine - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - Organosulfur compound - Organonitrogen 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