DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:56:23 UTC
Update Date	2025-03-25 00:52:19 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02192950
Frequency	0.5
Structure
Chemical Formula	C₁₀H₂₀N₂O₃
Molecular Mass	216.1474
SMILES	CCCCC(C(=O)NCC(=O)O)N(C)C
InChI Key	VGPISXYVQYASBX-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	acyl glycines
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids amino acids carbonyl compounds carboxylic acids dipeptides hydrocarbon derivatives monocarboxylic acids and derivatives n-acyl amines organic oxides organopnictogen compounds secondary carboxylic acid amides trialkylamines
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid amino acid fatty amide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound tertiary amine alpha-amino acid amide tertiary aliphatic amine carboxamide group n-acyl-amine n-acylglycine alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative organic nitrogen compound amine organooxygen compound

Showing information for DMID02192950