Compound Identification
SMILES
CO[C@@]1(NC(=O)CSC[C@@H](N)C(O)=O)[C@@H]2SCC(CSC3=NN=NN3C)=C(N2C1=O)C(O)=O
InChIKey
InChIKey=JSDXOWVAHXDYCU-FWTOCNMZSA-N
Formula
C16H21N7O7S3
Mass
519.57
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Lactams
-
Subclass
Beta lactams
-
Level 5
Cephems
-
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 S-alkyl-L-cysteines D-alpha-amino acids Alkylarylthioethers 1,3-thiazines Dicarboxylic acids and derivatives Tetrazoles Tertiary carboxylic acid amides Heteroaromatic compounds Amino acids Tertiary amines Azetidines Secondary carboxylic acid amides Sulfenyl compounds Dialkylthioethers Thiohemiaminal derivatives Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Monoalkylamines Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephamycin - N-acyl-alpha amino acid or derivatives - Cysteine or derivatives - S-alkyl-l-cysteine - Alpha-amino acid - Alpha-amino acid or derivatives - D-alpha-amino acid - Aryl thioether - Alkylarylthioether - Meta-thiazine - Dicarboxylic acid or derivatives - Azole - Tetrazole - Tertiary carboxylic acid amide - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Amino acid - Secondary carboxylic acid amide - Tertiary amine - Azetidine - Azacycle - Dialkylthioether - Sulfenyl compound - Carboxylic acid derivative - Carboxylic acid - Hemithioaminal - Thioether - Hydrocarbon derivative - Amine - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Primary aliphatic amine - Primary amine - Organonitrogen compound - Organooxygen compound - Organosulfur compound - 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