Compound Identification
SMILES
CC1=NC2=NC(NN2C(SCC2=C(N3[C@H](SC2)[C@H](NC(=O)C(=NOCC2=CC(O)=C(O)C=C2)C2=CSC(N)=N2)C3=O)C(O)=O)=C1)=C1C=CC(=O)C(O)=C1
InChIKey
InChIKey=OBMFXGRBSOWBGO-FUFSCUOVSA-N
Formula
C32H27N9O9S3
Mass
777.8
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 Triazolopyrimidines P-quinomethanes Catechols 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 2,4-disubstituted thiazoles 1,3-thiazines 2-amino-1,3-thiazoles Benzene and substituted derivatives Hydropyrimidines Triazolines Tertiary carboxylic acid amides Heteroaromatic compounds Tertiary amines Secondary carboxylic acid amides Amino acids Azetidines Ketene acetals Carboxylic acids Thiohemiaminal derivatives Azacyclic compounds Sulfenyl compounds Dialkylthioethers Enols Monocarboxylic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Organic oxides Primary amines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Triazolopyrimidine - Catechol - P-quinomethane - Quinomethane - 2,4-disubstituted 1,3-thiazole - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - 1,3-thiazol-2-amine - Benzenoid - Monocyclic benzene moiety - Meta-thiazine - Hydropyrimidine - 1,2-dihydropyrimidine - Heteroaromatic compound - Azole - Triazoline - Thiazole - Tertiary carboxylic acid amide - Amino acid or derivatives - Azetidine - Cyclic ketone - Carboxamide group - Amino acid - Ketene acetal or derivatives - Ketone - Secondary carboxylic acid amide - Tertiary amine - Azacycle - Propargyl-type 1,3-dipolar organic compound - Thioether - Organic 1,3-dipolar compound - Carboxylic acid derivative - Carboxylic acid - Sulfenyl compound - Enol - Hemithioaminal - Dialkylthioether - Monocarboxylic acid or derivatives - Amine - Organic oxide - Organosulfur compound - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organonitrogen compound - Carbonyl group - Primary amine - 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