DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:54:56 UTC
Update Date	2025-03-25 00:51:51 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02189789
Frequency	0.5
Structure
Chemical Formula	C₁₃H₂₃N₃O₄
Molecular Mass	285.1689
SMILES	C=CCCCCC(N)C(O)=NC(CCC(N)=O)C(=O)O
InChI Key	SJPQEWOHMVZHIF-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	glutamine and derivatives
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acids carbonyl compounds carboximidic acids carboxylic acids fatty amides hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds primary carboxylic acid amides propargyl-type 1,3-dipolar organic compounds short-chain hydroxy acids and derivatives
Substituents	primary carboxylic acid amide fatty acyl aliphatic acyclic compound carboximidic acid carbonyl group carboxylic acid short-chain hydroxy acid glutamine or derivatives fatty amide propargyl-type 1,3-dipolar organic compound organic oxide organonitrogen compound alpha-amino acid organopnictogen compound organic 1,3-dipolar compound carboxamide group monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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