Compound Identification
SMILES
OC(=O)CCC(=O)OCC1=C(N2[C@@H](SC1)[C@H](NC(=O)CN1C=NN=N1)C2=O)C(O)=O
InChIKey
InChIKey=KWYDLWFYGKOAPQ-RISCZKNCSA-N
Formula
C15H16N6O8S
Mass
440.39
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Lactams
-
Subclass
Beta lactams
-
Level 5
Cephems
-
Level 6
Cephalosporins
- Level 7 Cephalosporin 3'-esters
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Level 6
Cephalosporins
-
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
Cephalosporin 3'-esters
Alternative Parents
N-acyl-alpha amino acids and derivatives Tricarboxylic acids and derivatives Fatty acid esters 1,3-thiazines Tetrazoles Tertiary carboxylic acid amides Heteroaromatic compounds Amino acids Azetidines Carboxylic acid esters Tertiary amines Secondary carboxylic acid amides Carboxylic acids Azacyclic compounds Dialkylthioethers Thiohemiaminal derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin 3'-ester - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Tricarboxylic acid or derivatives - Fatty acid ester - Meta-thiazine - Fatty acyl - Azole - Heteroaromatic compound - Tertiary carboxylic acid amide - Tetrazole - Amino acid or derivatives - Azetidine - Carboxamide group - Carboxylic acid ester - Amino acid - Secondary carboxylic acid amide - Tertiary amine - Carboxylic acid - Carboxylic acid derivative - Azacycle - Dialkylthioether - Thioether - Hemithioaminal - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Carbonyl group - Organooxygen compound - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as cephalosporin 3'-esters. These are cephalosporins that are esterified at the 3'-position.
External Descriptors
Not available