Compound Identification
SMILES
CCOP(=O)(CCCCC(SC1=NNN=N1)C1=C(N2[C@@H](SC1)[C@H](NC(=O)C(O)C1=CC=CC=C1)C2=O)C(O)=O)OCC
InChIKey
InChIKey=CISPRDYEJWIAPH-DTFVCFORSA-N
Formula
C25H33N6O8PS2
Mass
640.67
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 Phenylacetamides Alkylarylthioethers Dialkyl alkylphosphonates 1,3-thiazines Phosphonic acid esters Tetrazoles Tertiary carboxylic acid amides Heteroaromatic compounds Azetidines Secondary carboxylic acid amides Secondary alcohols Monocarboxylic acids and derivatives Dialkylthioethers Sulfenyl compounds Carboxylic acids Thiohemiaminal derivatives Azacyclic compounds Hydrocarbon derivatives Aromatic alcohols Carbonyl compounds Organophosphorus compounds Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Phenylacetamide - Aryl thioether - Dialkyl alkylphosphonate - Phosphonic acid diester - Alkylarylthioether - Meta-thiazine - Phosphonic acid ester - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Tetrazole - Organophosphonic acid derivative - Azole - Heteroaromatic compound - Secondary alcohol - Secondary carboxylic acid amide - Azetidine - Carboxamide group - Azacycle - Dialkylthioether - Carboxylic acid derivative - Carboxylic acid - Sulfenyl compound - Monocarboxylic acid or derivatives - Hemithioaminal - Thioether - Organic oxide - Organic oxygen compound - Alcohol - Hydrocarbon derivative - Aromatic alcohol - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organophosphorus compound - Organosulfur compound - Carbonyl group - 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