DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:16:29 UTC
Update Date	2025-03-25 00:59:43 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02238904
Frequency	0.5
Structure
Chemical Formula	C₇H₁₂N₄O₅
Molecular Mass	232.0808
SMILES	NC(=C[N+](=O)[O-])NC(=O)CCC(N)C(=O)O
InChI Key	XZQDXXNZIQVNPI-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 c-nitro compounds carbonyl compounds carboxylic acids hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl amines nitro fatty acids organic oxides organic oxoanionic compounds organic oxoazanium compounds organonitrogen compounds organopnictogen compounds propargyl-type 1,3-dipolar organic compounds secondary carboxylic acid amides
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid glutamine or derivatives allyl-type 1,3-dipolar organic compound fatty amide organic nitro compound propargyl-type 1,3-dipolar organic compound nitro fatty acid organic oxide c-nitro compound organonitrogen compound alpha-amino acid organopnictogen compound organic oxoazanium organic 1,3-dipolar compound carboxamide group n-acyl-amine secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound organic hyponitrite

Showing information for DMID02238904