Compound Identification
SMILES
[O-]C(=O)C(F)(F)F.CC(C)(O\N=C(/C(=O)NC1C2SCC(CSC3=NC(N)=CC(N)=[N+]3C3=CC=CC=C3)=C(N2C1=O)C(O)=O)C1=CSC(N)=N1)C(O)=O
InChIKey
InChIKey=HBCOCCZMSTTWJG-AHDJAPAFSA-N
Formula
C29H28F3N9O9S3
Mass
799.77
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Lactams
-
Subclass
Beta lactams
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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 Alkylarylthioethers Aminopyrimidines and derivatives 1,3-thiazines 2-amino-1,3-thiazoles Imidolactams Dicarboxylic acids and derivatives Benzene and substituted derivatives Tertiary carboxylic acid amides Alpha-halocarboxylic acids Heteroaromatic compounds Secondary carboxylic acid amides Amino acids Azetidines Carboxylic acid salts Thiohemiaminal derivatives Sulfenyl compounds Azacyclic compounds Dialkylthioethers Carboxylic acids Organic oxides Organic zwitterions Hydrocarbon derivatives Primary amines Alkyl fluorides Organofluorides Carbonyl compounds
Molecular Framework
Not available
Substituents
Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Aryl thioether - 2,4-disubstituted 1,3-thiazole - Aminopyrimidine - Alkylarylthioether - Meta-thiazine - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - 1,3-thiazol-2-amine - Imidolactam - Benzenoid - Pyrimidine - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Azole - Heteroaromatic compound - Tertiary carboxylic acid amide - Thiazole - Secondary carboxylic acid amide - Amino acid or derivatives - Amino acid - Azetidine - Carboxamide group - Carboxylic acid salt - Sulfenyl compound - Hemithioaminal - Thioether - Dialkylthioether - Azacycle - Carboxylic acid - Carboxylic acid derivative - Organic zwitterion - Alkyl halide - Carbonyl group - Hydrocarbon derivative - Alkyl fluoride - Organohalogen compound - Organofluoride - Organonitrogen compound - Amine - Organic oxygen compound - Organooxygen compound - Organic oxide - Organic nitrogen compound - Organosulfur compound - 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