Compound Identification
SMILES
CO[C@@]1(NC(=O)CSC[C@H]([NH3+])C([O-])=O)[C@@H]2SCC(CSC3=NN=NN3C)=C(N2C1=O)C([O-])=O
InChIKey
InChIKey=JSDXOWVAHXDYCU-OCDRQSPJSA-M
Formula
C16H20N7O7S3
Mass
518.56
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Lactams
-
Subclass
Beta lactams
-
Level 5
Cephems
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Level 6
Cephalosporins
- Level 7 Cephamycins
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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 - Cephalosporins
Direct Parent
Cephamycins
Alternative Parents
N-acyl-alpha amino acids and derivatives Cysteine and derivatives L-alpha-amino acids Alkylarylthioethers 1,3-thiazines Dicarboxylic acids and derivatives Tetrazoles Tertiary carboxylic acid amides Heteroaromatic compounds Quaternary ammonium salts Secondary carboxylic acid amides Amino acids Tertiary amines Carboxylic acid salts Azetidines Sulfenyl compounds Dialkylthioethers Thiohemiaminal derivatives Carboxylic acids Azacyclic compounds Monoalkylamines Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic salts Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephamycin - N-acyl-alpha amino acid or derivatives - Cysteine or derivatives - Alpha-amino acid - Alpha-amino acid or derivatives - L-alpha-amino acid - Aryl thioether - Alkylarylthioether - Meta-thiazine - Dicarboxylic acid or derivatives - Quaternary ammonium salt - Tertiary carboxylic acid amide - Tetrazole - Heteroaromatic compound - Azole - Amino acid or derivatives - Amino acid - Secondary carboxylic acid amide - Carboxylic acid salt - Carboxamide group - Azetidine - Tertiary amine - Azacycle - Dialkylthioether - Carboxylic acid derivative - Carboxylic acid - Sulfenyl compound - Hemithioaminal - Thioether - Amine - Organic oxide - Organic oxygen compound - Carbonyl group - Organic salt - Hydrocarbon derivative - Primary aliphatic amine - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as cephamycins. These are compounds containing a the cephalosporin (oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid) nucleus, with an alkyloxy group attached to the C6 carbon atom.
External Descriptors
Not available