Compound Identification
SMILES
CCN1C=C(C(=O)OCC2=C(N3[C@H](SC2)[C@H](NC(=O)CC2=CC=CS2)C3=O)C(O)=O)C(=O)C2=CC3=C(OCO3)C=C12
InChIKey
InChIKey=QDHVVWBAMJFODI-PXDATVDWSA-N
Formula
C27H23N3O9S2
Mass
597.61
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Lactams
-
Subclass
Beta lactams
-
Level 5
Cephems
- Level 6 Cephalosporins
-
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 Hydroquinolones Hydroquinolines Pyridinecarboxylic acids Benzodioxoles 1,3-thiazines Benzenoids Dicarboxylic acids and derivatives Vinylogous amides Thiophenes Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Azetidines Carboxylic acid esters Thiohemiaminal derivatives Acetals Azacyclic compounds Oxacyclic compounds Carboxylic acids Dialkylthioethers Carbonyl compounds Organic oxides Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin - N-acyl-alpha amino acid or derivatives - Dihydroquinolone - Quinoline - Alpha-amino acid or derivatives - Dihydroquinoline - Benzodioxole - Pyridine carboxylic acid or derivatives - Pyridine carboxylic acid - Meta-thiazine - Pyridine - Dicarboxylic acid or derivatives - Benzenoid - Heteroaromatic compound - Thiophene - Tertiary carboxylic acid amide - Vinylogous amide - Azetidine - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Thioether - Dialkylthioether - Azacycle - Oxacycle - Hemithioaminal - Acetal - Carboxylic acid - Carboxylic acid derivative - Organonitrogen compound - Organic oxygen compound - Organic oxide - Carbonyl group - Organopnictogen compound - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - 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