DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:52:33 UTC
Update Date	2025-03-25 00:51:01 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02184250
Frequency	0.5
Structure
Chemical Formula	C₈H₁₄N₃O₆+
Molecular Mass	248.0877
SMILES	NC(CCC(=O)NC(=O)CC[N+](=O)O)C(=O)O
InChI Key	XKNWCZQCVOWARC-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	glutamine and derivatives
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acids beta amino acids and derivatives c-nitro compounds carbonyl compounds carboxylic acids dicarboximides hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl amines n-unsubstituted carboxylic acid imides nitro fatty acids organic oxides organic oxoanionic compounds organic oxoazanium compounds organonitrogen compounds organopnictogen compounds propargyl-type 1,3-dipolar organic compounds
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid glutamine or derivatives allyl-type 1,3-dipolar organic compound fatty acid organic nitro compound propargyl-type 1,3-dipolar organic compound nitro fatty acid carboxylic acid imide, n-unsubstituted organic oxide c-nitro compound organonitrogen compound alpha-amino acid organopnictogen compound dicarboximide organic oxoazanium organic 1,3-dipolar compound n-acyl-amine beta amino acid or derivatives carboxylic acid imide monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound organic hyponitrite

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