Compound Identification
SMILES
CO[C@]1(NC(=O)COC2=CC=CC=C2)C2SCC(Cl)=C(N2C1=O)C(O)=O
InChIKey
InChIKey=XCWIQPFCOGCNIM-LYKKTTPLSA-N
Formula
C16H15ClN2O6S
Mass
398.81
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 Phenol ethers Phenoxy compounds Alkyl aryl ethers 1,3-thiazines Vinylogous halides Tertiary carboxylic acid amides Amino acids Azetidines Tertiary amines Secondary carboxylic acid amides Monocarboxylic acids and derivatives Dialkylthioethers Chloroalkenes Carboxylic acids Thiohemiaminal derivatives Vinyl chlorides Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephamycin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Phenoxy compound - Phenol ether - Alkyl aryl ether - Meta-thiazine - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Vinylogous halide - Amino acid or derivatives - Azetidine - Amino acid - Carboxamide group - Secondary carboxylic acid amide - Tertiary amine - Haloalkene - Vinyl halide - Chloroalkene - Vinyl chloride - Hemithioaminal - Thioether - Dialkylthioether - Azacycle - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Carboxylic acid - Organic oxygen compound - Hydrocarbon derivative - Amine - Carbonyl group - Organic oxide - Organohalogen compound - Organic nitrogen compound - Organochloride - 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