Compound Identification
SMILES
COCO\N=C(/C(=O)N[C@H]1[C@H]2SCC(CN3C=C(NC(=O)CNC(=O)OC(C)(C)C)[N+]4=C3C=CC=N4)=C(N2C1=O)C([O-])=O)C1=NSC(N)=N1
InChIKey
InChIKey=ZQJXMHYAWSHZHS-FYGBIQFKSA-N
Formula
C27H31N11O9S2
Mass
717.73
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 Alpha amino acid amides N-arylamides N-substituted imidazoles 1,3-thiazines Pyridazines and derivatives Tertiary carboxylic acid amides Carbamate esters Thiadiazoles Heteroaromatic compounds Amino acids Azetidines Carboxylic acid salts Secondary carboxylic acid amides Azacyclic compounds Thiohemiaminal derivatives Monocarboxylic acids and derivatives Dialkylthioethers Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Primary amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - N-arylamide - Meta-thiazine - N-substituted imidazole - Pyridazine - Azole - Heteroaromatic compound - Tertiary carboxylic acid amide - Thiadiazole - Imidazole - Carbamic acid ester - Carboxamide group - Carboxylic acid salt - Secondary carboxylic acid amide - Amino acid - Amino acid or derivatives - Azetidine - Carboxylic acid derivative - Thioether - Monocarboxylic acid or derivatives - Hemithioaminal - Dialkylthioether - Carboxylic acid - Azacycle - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Primary amine - Organic zwitterion - Organic salt - Amine - Hydrocarbon derivative - Organic oxide - 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