DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:37:07 UTC
Update Date	2025-03-25 00:45:26 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02149044
Frequency	0.5
Structure
Chemical Formula	C₂₂H₄₃N₂O₅+
Molecular Mass	415.3166
SMILES	CCCCCCCCCCCCCCCCCC(=O)NC(CC[N+](=O)O)C(=O)O
InChI Key	CFRBXKOZBZGSQE-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	n-acyl-alpha amino acids
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acids c-nitro compounds carbonyl compounds carboxylic acids hydrocarbon derivatives monocarboxylic acids and derivatives n-acyl amines nitro fatty acids organic oxides organic oxoanionic compounds organic oxoazanium compounds organonitrogen compounds organopnictogen compounds propargyl-type 1,3-dipolar organic compounds secondary carboxylic acid amides
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid allyl-type 1,3-dipolar organic compound fatty amide fatty acid 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 organic oxoazanium n-acyl-alpha-amino acid organic 1,3-dipolar compound carboxamide group n-acyl-amine secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative organic nitrogen compound organooxygen compound organic hyponitrite

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