Compound Identification
SMILES
COCC1=C(N2[C@H](SC1)[C@H](NC(=O)C(=N\OC)\C1=CSC(N)=N1)C2=O)C([O-])=O
InChIKey
InChIKey=WYUSVOMTXWRGEK-LMCFTXQDSA-M
Formula
C15H16N5O6S2
Mass
426.44
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 2,4-disubstituted thiazoles 1,3-thiazines 2-amino-1,3-thiazoles Tertiary carboxylic acid amides Heteroaromatic compounds Tertiary amines Secondary carboxylic acid amides Amino acids Azetidines Carboxylic acid salts Dialkylthioethers Dialkyl ethers Carboxylic acids Azacyclic compounds Thiohemiaminal derivatives 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 - 2,4-disubstituted 1,3-thiazole - Meta-thiazine - 1,3-thiazol-2-amine - Azole - Tertiary carboxylic acid amide - Thiazole - Heteroaromatic compound - Amino acid - Tertiary amine - Secondary carboxylic acid amide - Carboxylic acid salt - Carboxamide group - Amino acid or derivatives - Azetidine - Hemithioaminal - Thioether - Carboxylic acid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Ether - Dialkylthioether - Dialkyl ether - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Primary amine - Hydrocarbon derivative - Amine - Organic oxide - 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