Compound Identification
SMILES
CO[C@]1(NC(=O)CC2=C(C#N)C(=O)NO2)[C@@H]2SCC(CSC3=NN=NN3C)=C(N2C1=O)C(O)=O
InChIKey
InChIKey=HGEKEYSCANKEMA-RDJZCZTQSA-N
Formula
C17H16N8O7S2
Mass
508.48
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 Alkylarylthioethers 1,3-thiazines Tetrazoles Tertiary carboxylic acid amides Heteroaromatic compounds Isoxazoles Tertiary amines Secondary carboxylic acid amides Amino acids Azetidines Thiohemiaminal derivatives Sulfenyl compounds Oxacyclic compounds Monocarboxylic acids and derivatives Nitriles Dialkylthioethers Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephamycin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Aryl thioether - Alkylarylthioether - Meta-thiazine - Tertiary carboxylic acid amide - Tetrazole - Azole - Heteroaromatic compound - Isoxazole - Carboxamide group - Amino acid - Secondary carboxylic acid amide - Tertiary amine - Azetidine - Amino acid or derivatives - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Azacycle - Dialkylthioether - Monocarboxylic acid or derivatives - Sulfenyl compound - Carbonitrile - Nitrile - Hemithioaminal - Thioether - Cyanide - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Amine - 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