| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:12:20 UTC |
|---|
| Update Date | 2025-03-25 00:58:15 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02229520 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C28H54NO4+ |
|---|
| Molecular Mass | 468.4047 |
|---|
| SMILES | CCCCCCCCCCCC=CC(=O)OC(CCCCCCCCC(=O)O)C[N+](C)(C)C |
|---|
| InChI Key | XRQSVOPXASGHKC-UHFFFAOYSA-O |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | hydroxy acids and derivatives |
|---|
| Subclass | medium-chain hydroxy acids and derivatives |
|---|
| Direct Parent | medium-chain hydroxy acids and derivatives |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | aminesamino fatty acidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesenoate estersfatty acid estershydrocarbon derivativesmedium-chain fatty acidsorganic cationsorganic oxidesorganic saltsorganopnictogen compoundstetraalkylammonium salts |
|---|
| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidcarboxylic acid derivativemedium-chain hydroxy acidalpha,beta-unsaturated carboxylic esterorganic oxideorganonitrogen compoundorganopnictogen compoundmedium-chain fatty acidorganic cationorganic saltenoate estertetraalkylammonium saltquaternary ammonium saltamino fatty acidfatty acid esterorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
|---|
