Compound Identification
SMILES
[NH3+][C@@H]1[C@@H]2SCC(COC3=NC4=C(N=N3)C3=CC=CC=C3N4)=C(N2C1=O)C([O-])=O
InChIKey
InChIKey=BDNKYJMGRUFDEY-BONVTDFDSA-N
Formula
C17H14N6O4S
Mass
398.4
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
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Subclass
Amino acids, peptides, and analogues
- Level 5 Amino acids and derivatives
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Subclass
Amino acids, peptides, and analogues
-
Class
Carboxylic acids and derivatives
-
Superclass
Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Amino acids, peptides, and analogues
Intermediate Tree Nodes
Amino acids and derivatives
Direct Parent
Alpha amino acids and derivatives
Alternative Parents
Cephems Indoles Alkyl aryl ethers 1,2,4-triazines 1,3-thiazines Benzenoids Tertiary carboxylic acid amides Quaternary ammonium salts Pyrroles Heteroaromatic compounds Amino acids Tertiary amines Carboxylic acid salts Azetidines Dialkylthioethers Carboxylic acids Thiohemiaminal derivatives Azacyclic compounds Monocarboxylic acids and derivatives Organic zwitterions Hydrocarbon derivatives Carbonyl compounds Monoalkylamines Organic oxides Organic salts
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - Indole or derivatives - Cephem - Indole - Alkyl aryl ether - Meta-thiazine - 1,2,4-triazine - Benzenoid - Triazine - Pyrrole - Quaternary ammonium salt - Heteroaromatic compound - Beta-lactam - Tertiary carboxylic acid amide - Carboxylic acid salt - Lactam - Carboxamide group - Tertiary amine - Azetidine - Amino acid - Azacycle - Organoheterocyclic compound - Carboxylic acid - Dialkylthioether - Ether - Hemithioaminal - Thioether - Monocarboxylic acid or derivatives - Amine - Organic oxide - Organic salt - Organic oxygen compound - Organic zwitterion - Hydrocarbon derivative - Organic nitrogen compound - Primary aliphatic amine - Carbonyl group - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
External Descriptors
Not available