Compound Identification
SMILES
NCCCC[C@H](N)C(O)=O.CC1=C(N2[C@@H](SC1)[C@@H](NC(=O)C(N)C1=CC=CC=C1)C2=O)C(O)=O
InChIKey
InChIKey=CSXICSKZWGBACI-FURSUUSOSA-N
Formula
C22H31N5O6S
Mass
493.58
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Lactams
-
Subclass
Beta lactams
-
Level 5
Cephems
- 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
Direct Parent
Cephalosporins
Alternative Parents
N-acyl-alpha amino acids and derivatives Alpha amino acid amides Phenylacetamides L-alpha-amino acids Medium-chain fatty acids Amino fatty acids Aralkylamines 1,3-thiazines Tertiary carboxylic acid amides Secondary carboxylic acid amides Amino acids Azetidines Thiohemiaminal derivatives Monocarboxylic acids and derivatives Azacyclic compounds Dialkylthioethers Carboxylic acids Organic oxides Monoalkylamines Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Alpha-amino acid - Alpha-amino acid or derivatives - L-alpha-amino acid - Phenylacetamide - Medium-chain fatty acid - Amino fatty acid - Aralkylamine - Meta-thiazine - Benzenoid - Fatty acyl - Monocyclic benzene moiety - Fatty acid - Tertiary carboxylic acid amide - Amino acid or derivatives - Azetidine - Secondary carboxylic acid amide - Carboxamide group - Amino acid - Azacycle - Dialkylthioether - Hemithioaminal - Thioether - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Carbonyl group - Hydrocarbon derivative - Organic oxide - Primary amine - Amine - Organic nitrogen compound - Organooxygen compound - Primary aliphatic amine - Organic oxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as cephalosporins. These are compounds containing a 1,2-thiazine fused to a 2-azetidinone to for a oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid moiety or a derivative thereof.
External Descriptors
Not available