Compound Identification
SMILES
CC1=NN=C(SCC2=C(N3[C@@H](SC2)[C@H](NC(=O)C(=S)[S@@](=O)[C@@H]2CSCN2)C3=O)C(O)=O)S1
InChIKey
InChIKey=KRTKPPZULSZBKB-VFWIWCNNSA-N
Formula
C16H17N5O5S6
Mass
551.7
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 Alkylarylthioethers 1,3-thiazines Thiazolidines Thiadiazoles Tertiary carboxylic acid amides Heteroaromatic compounds Sulfoxides Azetidines Secondary carboxylic acid amides Thiohemiaminal derivatives Sulfinyl compounds Azacyclic compounds Sulfenyl compounds Monocarboxylic acids and derivatives Dialkylthioethers Carboxylic acids Organonitrogen compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Aryl thioether - Alkylarylthioether - Meta-thiazine - Azole - Heteroaromatic compound - Tertiary carboxylic acid amide - Thiazolidine - Thiadiazole - Azetidine - Carboxamide group - Secondary carboxylic acid amide - Sulfoxide - Azacycle - Carboxylic acid derivative - Carboxylic acid - Dialkylthioether - Monocarboxylic acid or derivatives - Sulfenyl compound - Sulfinyl compound - Hemithioaminal - Thioether - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - 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