DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:09:46 UTC
Update Date	2025-03-21 18:31:22 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00085555
Frequency	33.4
Structure
Chemical Formula	C₈H₁₂N₂O₅
Molecular Mass	216.0746
SMILES	CC(C(=O)N1CCCC1C(=O)O)[N+](=O)[O-]
InChI Key	YVOVCUIJQYNKJD-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	dipeptides
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids azacyclic compounds c-nitro compounds carbonyl compounds carboxylic acids hydrocarbon derivatives monocarboxylic acids and derivatives n-acyl-alpha amino acids n-acylpyrrolidines organic oxides organic oxoanionic compounds organic oxoazanium compounds organonitrogen compounds organopnictogen compounds proline and derivatives propargyl-type 1,3-dipolar organic compounds pyrrolidine carboxylic acids tertiary carboxylic acid amides
Substituents	carbonyl group carboxylic acid allyl-type 1,3-dipolar organic compound n-acylpyrrolidine alpha-amino acid or derivatives organic nitro compound propargyl-type 1,3-dipolar organic compound organic oxide c-nitro compound pyrrolidine carboxylic acid tertiary carboxylic acid amide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound organic oxoazanium pyrrolidine organoheterocyclic compound n-acyl-alpha amino acid or derivatives proline or derivatives alpha-amino acid amide azacycle n-acyl-alpha-amino acid organic 1,3-dipolar compound carboxamide group alpha-dipeptide monocarboxylic acid or derivatives pyrrolidine carboxylic acid or derivatives organic oxygen compound hydrocarbon derivative organic nitrogen compound organooxygen compound organic hyponitrite

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