Compound Identification
SMILES
CO[C@]1(NC(=O)CC2=CC=C(O)C=C2)C2SCC(CSC3=NN=NN3C)=C(N2C1=O)C(O)=O
InChIKey
InChIKey=OCKRAKMXEHORNR-NNBQYGFHSA-N
Formula
C19H20N6O6S2
Mass
492.53
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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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 Phenylacetamides 1-hydroxy-2-unsubstituted benzenoids Alkylarylthioethers 1,3-thiazines Tetrazoles Tertiary carboxylic acid amides Heteroaromatic compounds Tertiary amines Amino acids Azetidines Secondary carboxylic acid amides Dialkylthioethers Carboxylic acids Sulfenyl compounds Azacyclic compounds Thiohemiaminal derivatives Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephamycin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Phenylacetamide - Aryl thioether - 1-hydroxy-2-unsubstituted benzenoid - Alkylarylthioether - Phenol - Meta-thiazine - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Tertiary carboxylic acid amide - Tetrazole - Amino acid or derivatives - Azetidine - Amino acid - Carboxamide group - Secondary carboxylic acid amide - Tertiary amine - Thioether - Hemithioaminal - Sulfenyl compound - Azacycle - Monocarboxylic acid or derivatives - Dialkylthioether - Carboxylic acid - Carboxylic acid derivative - Organosulfur compound - Organic nitrogen compound - Carbonyl group - Amine - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organooxygen 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