Compound Identification
SMILES
COC1=NN=C(SCC2=C(N3C(SC2)C(NC(=O)CC2=CSC(=O)S2)C3=O)C(O)=O)S1
InChIKey
InChIKey=CELXCTDFEUWVFR-UHFFFAOYSA-N
Formula
C16H14N4O6S5
Mass
518.61
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 Alkyl aryl ethers Alkylarylthioethers 1,3-thiazines Thiadiazoles Tertiary carboxylic acid amides 1,3-dithioles Heteroaromatic compounds Secondary carboxylic acid amides Azetidines Thiohemiaminal derivatives Sulfenyl compounds Monocarboxylic acids and derivatives Dialkylthioethers Carboxylic acids Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Aryl thioether - Alkyl aryl ether - Alkylarylthioether - Meta-thiazine - Azole - Heteroaromatic compound - Dithiole - 1,3-dithiole - Tertiary carboxylic acid amide - Thiadiazole - Azetidine - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Carboxylic acid - Dialkylthioether - Ether - Monocarboxylic acid or derivatives - Sulfenyl compound - Hemithioaminal - Thioether - Organopnictogen compound - 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