Compound Identification
SMILES
OC(CC(O)=O)OCC1=C(N2C(SC1)C(NC(=O)CCCC(=O)C(O)=O)C2=O)C(O)=O
InChIKey
InChIKey=KQAYETGNHYAWFU-UHFFFAOYSA-N
Formula
C17H20N2O11S
Mass
460.41
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 Tricarboxylic acids and derivatives Beta hydroxy acids and derivatives 1,3-thiazines Alpha-keto acids and derivatives N-acyl amines Tertiary carboxylic acid amides Alpha-hydroxy ketones Secondary carboxylic acid amides Hemiacetals Azetidines Thiohemiaminal derivatives Azacyclic compounds Dialkylthioethers Carboxylic acids Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Tricarboxylic acid or derivatives - Beta-hydroxy acid - Meta-thiazine - Alpha-keto acid - Fatty amide - Hydroxy acid - Keto acid - N-acyl-amine - Fatty acyl - Tertiary carboxylic acid amide - Alpha-hydroxy ketone - Secondary carboxylic acid amide - Carboxamide group - Hemiacetal - Azetidine - Ketone - Azacycle - Dialkylthioether - Hemithioaminal - Thioether - Carboxylic acid derivative - Carboxylic acid - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Organic oxide - Aliphatic 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