Compound Identification
SMILES
CC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](N)C1=CC3=C(OCO3)C=C1)C2=O)C(O)=O
InChIKey
InChIKey=APIJQNGYGVYKQR-XHBSWPGZSA-N
Formula
C17H17N3O6S
Mass
391.4
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 Benzodioxoles Aralkylamines 1,3-thiazines Benzenoids Tertiary carboxylic acid amides Secondary carboxylic acid amides Amino acids Azetidines Thiohemiaminal derivatives Acetals Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Dialkylthioethers Carboxylic acids Monoalkylamines Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Alpha-amino acid or derivatives - Benzodioxole - Aralkylamine - Meta-thiazine - Benzenoid - Tertiary carboxylic acid amide - Amino acid or derivatives - Amino acid - Azetidine - Carboxamide group - Secondary carboxylic acid amide - Acetal - Oxacycle - Azacycle - Carboxylic acid derivative - Carboxylic acid - Dialkylthioether - Monocarboxylic acid or derivatives - Hemithioaminal - Thioether - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Amine - Organic oxide - Primary aliphatic amine - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Primary amine - Organic nitrogen 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