DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:12:47 UTC
Update Date	2025-03-25 00:58:24 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02230498
Frequency	0.5
Structure
Chemical Formula	C₈H₁₆N₄O₃
Molecular Mass	216.1222
SMILES	CNC(=C[N+](=O)[O-])NCCCCC(N)=O
InChI Key	PSXQGTLYDBXJGM-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	delta amino acids and derivatives
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	c-nitro compounds carbonyl compounds carboxylic acids and derivatives dialkylamines fatty amides hydrocarbon derivatives organic oxides organic oxoanionic compounds organic oxoazanium compounds organopnictogen compounds primary carboxylic acid amides propargyl-type 1,3-dipolar organic compounds
Substituents	primary carboxylic acid amide fatty acyl aliphatic acyclic compound carbonyl group 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 organopnictogen compound delta amino acid or derivatives organic oxoazanium secondary aliphatic amine organic 1,3-dipolar compound secondary amine carboxamide group organic oxygen compound hydrocarbon derivative organic nitrogen compound organooxygen compound amine organic hyponitrite

Showing information for DMID02230498