DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:03:48 UTC
Update Date	2025-03-21 18:28:20 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00071228
Frequency	42.1
Structure
Chemical Formula	C₇H₁₃N₃O₄
Molecular Mass	203.0906
SMILES	CNC(=C[N+](=O)[O-])NCCCC(=O)O
InChI Key	YXTRHWKKZLJPSJ-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	gamma amino acids and derivatives
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	amino acids c-nitro compounds carbonyl compounds carboxylic acids dialkylamines fatty acyls hydrocarbon derivatives monocarboxylic acids and derivatives nitro fatty acids organic oxides organic oxoanionic compounds organic oxoazanium compounds organopnictogen compounds propargyl-type 1,3-dipolar organic compounds straight chain fatty acids
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid amino acid gamma amino acid or derivatives allyl-type 1,3-dipolar organic compound organic nitro compound propargyl-type 1,3-dipolar organic compound nitro fatty acid organic oxide c-nitro compound organonitrogen compound organopnictogen compound organic oxoazanium secondary aliphatic amine straight chain fatty acid organic 1,3-dipolar compound secondary amine monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative organic nitrogen compound organooxygen compound amine organic hyponitrite

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