Compound Identification
SMILES
OCC1=CC2=C(SC(SC3=C(N4[C@@H](SC3)[C@H](NC(=O)CC3=CC=CC=C3)C4=O)C(O)=O)=N2)C=C1
InChIKey
InChIKey=QFHAGYMJEWWOCU-NQIIRXRSSA-N
Formula
C23H19N3O5S3
Mass
513.6
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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Class
Lactams
-
Subclass
Beta lactams
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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 Phenylacetamides Benzothiazoles Aryl thioethers Vinylogous thioesters 1,3-thiazines Thiazoles Tertiary carboxylic acid amides Heteroaromatic compounds Thioenol ethers Tertiary amines Amino acids Secondary carboxylic acid amides Azetidines Thiohemiaminal derivatives Sulfenyl compounds Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Dialkylthioethers Primary alcohols Carbonyl compounds Aromatic alcohols Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Phenylacetamide - 1,3-benzothiazole - Aryl thioether - Meta-thiazine - Monocyclic benzene moiety - Vinylogous thioester - Benzenoid - Azole - Heteroaromatic compound - Tertiary carboxylic acid amide - Thiazole - Amino acid or derivatives - Azetidine - Amino acid - Carboxamide group - Secondary carboxylic acid amide - Tertiary amine - Thioenolether - Hemithioaminal - Thioether - Sulfenyl compound - Carboxylic acid derivative - Dialkylthioether - Monocarboxylic acid or derivatives - Azacycle - Carboxylic acid - Primary alcohol - Organonitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Organooxygen compound - Aromatic alcohol - Alcohol - Organosulfur 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