DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:56:55 UTC
Update Date	2025-03-25 00:52:30 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02194163
Frequency	0.5
Structure
Chemical Formula	C₇H₁₂N₄O₅
Molecular Mass	232.0808
SMILES	CNC(=C[N+](=O)[O-])NC(=O)CC(N)C(=O)O
InChI Key	QJZIOJDSSRXSDR-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	asparagine and derivatives
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acids amino acids c-nitro compounds carbonyl compounds carboxylic acids dialkylamines hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl amines nitro fatty acids organic oxides organic oxoanionic compounds organic oxoazanium compounds organopnictogen compounds propargyl-type 1,3-dipolar organic compounds secondary carboxylic acid amides
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid amino acid allyl-type 1,3-dipolar organic compound fatty amide 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 asparagine or derivatives organic oxoazanium secondary aliphatic amine organic 1,3-dipolar compound secondary amine carboxamide group n-acyl-amine secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound amine organic hyponitrite

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