DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:57:08 UTC
Update Date	2025-03-25 00:52:34 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02194644
Frequency	0.5
Structure
Chemical Formula	C₂₅H₅₀N₂O₃
Molecular Mass	426.3821
SMILES	CCCCCCCCCCCCCCCCCCCC(NC(=O)CCCN)C(=O)O
InChI Key	RULCUOBWUWYNMH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	lipids and lipid-like molecules
Class	fatty acyls
Subclass	fatty acids and conjugates
Direct Parent	long-chain fatty acids
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acids amino fatty acids carbonyl compounds carboxylic acids gamma amino acids and derivatives hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds secondary carboxylic acid amides
Substituents	aliphatic acyclic compound carbonyl group long-chain fatty acid carboxylic acid gamma amino acid or derivatives fatty amide alpha-amino acid or derivatives carboxylic acid derivative organic oxide organonitrogen compound alpha-amino acid organopnictogen compound n-acyl-alpha amino acid or derivatives n-acyl-alpha-amino acid carboxamide group amino fatty acid n-acyl-amine secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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