DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:54:42 UTC
Update Date	2025-03-25 00:51:46 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02189246
Frequency	0.5
Structure
Chemical Formula	C₁₁H₂₁N₃O₄
Molecular Mass	259.1532
SMILES	CC(C)CC(=NC(O)C(=O)O)C(N)CCC(N)=O
InChI Key	GILRYIWEQXHOGW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	gamma amino acids and derivatives
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alkanolamines alpha amino acids alpha hydroxy acids and derivatives carbonyl compounds carboxylic acids fatty amides hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives organic oxides organopnictogen compounds primary carboxylic acid amides propargyl-type 1,3-dipolar organic compounds secondary ketimines
Substituents	primary carboxylic acid amide fatty acyl aliphatic acyclic compound ketimine carbonyl group carboxylic acid gamma amino acid or derivatives imine alpha-hydroxy acid fatty amide alpha-amino acid or derivatives propargyl-type 1,3-dipolar organic compound secondary ketimine organic oxide organonitrogen compound alpha-amino acid organopnictogen compound alkanolamine organic 1,3-dipolar compound hydroxy acid carboxamide group monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

Showing information for DMID02189246