Compound Identification
SMILES
COC1=CC=CC(CN2CC\C(=C/C3=C(N4[C@H](SC3)[C@H](NC(=O)C(=N/O)\C3=CSC(N)=N3)C4=O)C(O)=O)C2=O)=C1
InChIKey
InChIKey=SABUVPZPPDKTBO-RYMYKXRLSA-N
Formula
C25H24N6O7S2
Mass
584.62
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 Anisoles Methoxybenzenes Phenoxy compounds Alkyl aryl ethers 2,4-disubstituted thiazoles Pyrrolidine-2-ones 1,3-thiazines 2-amino-1,3-thiazoles N-alkylpyrrolidines Ketoximes Tertiary carboxylic acid amides Heteroaromatic compounds Amino acids Secondary carboxylic acid amides Azetidines Dialkylthioethers Carboxylic acids Monocarboxylic acids and derivatives Thiohemiaminal derivatives Azacyclic compounds Carbonyl 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 - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - 2,4-disubstituted 1,3-thiazole - Alkyl aryl ether - Meta-thiazine - Monocyclic benzene moiety - Pyrrolidone - 2-pyrrolidone - N-alkylpyrrolidine - Benzenoid - 1,3-thiazol-2-amine - Tertiary carboxylic acid amide - Pyrrolidine - Thiazole - Ketoxime - Azole - Heteroaromatic compound - Secondary carboxylic acid amide - Amino acid - Amino acid or derivatives - Azetidine - Carboxamide group - Dialkylthioether - Hemithioaminal - Thioether - Azacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organooxygen compound - Amine - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Primary amine - 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