DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 13:31:43 UTC
Update Date	2025-03-24 22:06:44 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01994639
Frequency	0.6
Structure
Chemical Formula	C₄H₈N₂O₃
Molecular Mass	132.0535
SMILES	NCCCC(=O)[N+](=O)[O-]
InChI Key	MGTAQTCDXZAHJU-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	c-nitro compounds carbonyl compounds carboxylic acids and derivatives hydrocarbon derivatives monoalkylamines organic oxides organic oxoanionic compounds organic oxoazanium compounds organonitrogen compounds organopnictogen compounds propargyl-type 1,3-dipolar organic compounds
Substituents	aliphatic acyclic compound carbonyl group gamma amino acid or derivatives allyl-type 1,3-dipolar organic compound organic 1,3-dipolar compound organic nitro compound propargyl-type 1,3-dipolar organic compound organic oxide organic oxygen compound c-nitro compound organonitrogen compound organopnictogen compound hydrocarbon derivative primary aliphatic amine organic nitrogen compound organic oxoazanium organooxygen compound organic hyponitrite

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