DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:37:58 UTC
Update Date	2025-03-21 17:57:52 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00010756
Frequency	435.7
Structure
Chemical Formula	C₆H₁₃N₂O₄+
Molecular Mass	177.087
SMILES	NC(CCCC[N+](=O)O)C(=O)O
InChI Key	HCVFZBCYRJPFNQ-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	alpha amino acids
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	c-nitro compounds carbonyl compounds carboxylic acids hydrocarbon derivatives medium-chain fatty acids monoalkylamines monocarboxylic acids and derivatives 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 allyl-type 1,3-dipolar organic compound fatty acid 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 medium-chain fatty acid organic oxoazanium organic 1,3-dipolar compound monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound organic hyponitrite

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