Compound Identification
SMILES
[Na+].[H][C@]12SCC(COC(O)=N)=C(N1C(=O)[C@@]2([H])N=C([O-])C(=N/OC)\C1=CC=CO1)C(O)=O
InChIKey
InChIKey=URDOHUPGIOGTKV-JTBFTWTJSA-M
Formula
C16H15N4NaO8S
Mass
446.37
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
-
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 - Alpha amino acids and derivatives
Direct Parent
N-acyl-alpha amino acids and derivatives
Alternative Parents
Cephems 1,3-thiazines Tertiary carboxylic acid amides Heteroaromatic compounds Furans Azetidines Thiohemiaminal derivatives Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Carboximidic acids Monocarboxylic acids and derivatives Carboxylic acids Dialkylthioethers Hydrocarbon derivatives Imines Organic oxides Carbonyl compounds Organic sodium salts Organic zwitterions Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Cephem - Meta-thiazine - Beta-lactam - Heteroaromatic compound - Furan - Tertiary carboxylic acid amide - Azetidine - Carboxamide group - Lactam - Carboximidic acid - Carboximidic acid derivative - Carboxylic acid - Oxacycle - Azacycle - Monocarboxylic acid or derivatives - Organic alkali metal salt - Thioether - Hemithioaminal - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Dialkylthioether - Organoheterocyclic compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic sodium salt - Organic oxide - Organic oxygen compound - Organic zwitterion - Hydrocarbon derivative - Organopnictogen compound - Imine - Organic salt - Carbonyl group - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom.
External Descriptors
CHEBI:3517 : organic molecular entity