Compound Identification
SMILES
CN1C(N)=C(C=[N+]1CC1=C(N2[C@H](SC1)[C@H](NC(=O)C(=N/OC(C)(C)C(O)=O)\C1=NSC(N)=N1)C2=O)C(O)=O)N=C(N)N
InChIKey
InChIKey=PQXKSTOKJAAMFU-VVDFEXGWSA-O
Formula
C21H27N12O7S2
Mass
623.64
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 1,3-thiazines Dicarboxylic acids and derivatives Thiadiazoles Tertiary carboxylic acid amides Pyrazoles Heteroaromatic compounds Secondary carboxylic acid amides Amino acids Azetidines Guanidines Thiohemiaminal derivatives Azacyclic compounds Carboxylic acids Dialkylthioethers Carbonyl compounds Primary amines Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Meta-thiazine - Dicarboxylic acid or derivatives - Heteroaromatic compound - Azole - Thiadiazole - Tertiary carboxylic acid amide - Pyrazole - Amino acid or derivatives - Amino acid - Azetidine - Guanidine - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Carboxylic acid - Thioether - Hemithioaminal - Dialkylthioether - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Primary amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Amine - Organic cation - 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