Record Information |
---|
HMDB Status | Not Available |
---|
Creation Date | 2024-02-21 00:26:43 UTC |
---|
Update Date | 2025-03-21 18:39:34 UTC |
---|
HMDB ID | Not Available |
---|
Metabolite Identification |
---|
DeepMet ID | DMID00126376 |
---|
Frequency | 20.3 |
---|
Structure | |
---|
Chemical Formula | C18H31N4O5+ |
---|
Molecular Mass | 383.2289 |
---|
SMILES | CC(N)Cc1c(O)c[n+](CCCCC(N)C(=O)O)cc1CCC(N)C(=O)O |
---|
InChI Key | JDEPOSPXWFUORJ-UHFFFAOYSA-O |
---|
Chemical Taxonomy |
---|
Kingdom | organic compounds |
---|
Superclass | organic acids and derivatives |
---|
Class | carboxylic acids and derivatives |
---|
Subclass | amino acids, peptides, and analogues |
---|
Direct Parent | alpha amino acids |
---|
Geometric Descriptor | aromatic heteromonocyclic compounds |
---|
Alternative Parents | amino fatty acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidshydroxypyridinesmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmethylpyridinesmonoalkylaminesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridines |
---|
Substituents | fatty acylcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundheterocyclic fatty acidpolyhalopyridinefatty acidmedium-chain hydroxy acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidorganic cationorganoheterocyclic compoundazacycleheteroaromatic compoundhydroxypyridinemethylpyridineamino fatty acidpyridineorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
---|