DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:38:32 UTC
Update Date	2025-03-25 00:45:58 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02152370
Frequency	0.5
Structure
Chemical Formula	C₈H₁₆N₃O₅+
Molecular Mass	234.1084
SMILES	NC(CCCC[N+](=O)O)C(=O)NCC(=O)O
InChI Key	WOTQYWKWMOEIFV-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	acyl glycines
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids c-nitro compounds carbonyl compounds carboxylic acids dipeptides 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 allyl-type 1,3-dipolar organic compound fatty amide alpha peptide organic nitro compound propargyl-type 1,3-dipolar organic compound organic oxide c-nitro compound organonitrogen compound alpha-amino acid organopnictogen compound organic oxoazanium alpha-amino acid amide organic 1,3-dipolar compound carboxamide group n-acyl-amine n-acylglycine alpha-dipeptide 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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