DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:22:11 UTC
Update Date	2025-03-25 01:01:51 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02252098
Frequency	0.5
Structure
Chemical Formula	C₇H₁₄N₃O₅+
Molecular Mass	220.0928
SMILES	NCCCC(=O)NC(C[N+](=O)O)C(=O)O
InChI Key	BVWKYYDLEWWWMW-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	n-acyl-alpha amino acids
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acids c-nitro compounds carbonyl compounds carboxylic acids gamma amino acids and derivatives hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl amines 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 gamma amino acid or derivatives allyl-type 1,3-dipolar organic compound fatty amide organic nitro compound propargyl-type 1,3-dipolar organic compound organic oxide c-nitro compound organonitrogen compound alpha-amino acid organopnictogen compound organic oxoazanium n-acyl-alpha-amino acid 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

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