Compound Identification
SMILES
[O-]C(=O)C(F)(F)F.NC1=NC(=CS1)C(=N/OC(C(O)=O)C1=CC(O)=C(O)C=C1)\C(=O)NC1C2SCC(\C=C\C[N+]3=CC=CC4=C3SC=C4)=C(N2C1=O)C(O)=O
InChIKey
InChIKey=XRBPPONMDAVNKK-VEELZWTKSA-N
Formula
C32H25F3N6O11S3
Mass
822.76
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
-
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 Thienopyridines Catechols 2,4-disubstituted thiazoles 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Dicarboxylic acids and derivatives 1,3-thiazines 2-amino-1,3-thiazoles Pyridinium derivatives Alpha-halocarboxylic acids Heteroaromatic compounds Thiophenes Tertiary carboxylic acid amides Carboxylic acid salts Azetidines Secondary carboxylic acid amides Amino acids Thiohemiaminal derivatives Dialkylthioethers Azacyclic compounds Carboxylic acids Hydrocarbon derivatives Alkyl fluorides Organic oxides Primary amines Organofluorides Organic zwitterions Carbonyl compounds
Molecular Framework
Not available
Substituents
Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Thienopyridine - Catechol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - 2,4-disubstituted 1,3-thiazole - Phenol - Meta-thiazine - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Pyridine - Pyridinium - Benzenoid - 1,3-thiazol-2-amine - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Thiophene - Azole - Heteroaromatic compound - Tertiary carboxylic acid amide - Thiazole - Carboxylic acid salt - Azetidine - Carboxamide group - Amino acid or derivatives - Amino acid - Secondary carboxylic acid amide - Dialkylthioether - Carboxylic acid - Carboxylic acid derivative - Hemithioaminal - Thioether - Azacycle - Organic nitrogen compound - Organohalogen compound - Carbonyl group - Organofluoride - Organonitrogen compound - Organooxygen compound - Primary amine - Amine - Organic zwitterion - Hydrocarbon derivative - Organic oxide - Alkyl halide - Alkyl fluoride - 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