DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:46:22 UTC
Update Date	2025-03-25 00:48:46 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02170125
Frequency	0.5
Structure
Chemical Formula	C₁₈H₃₁NO₅
Molecular Mass	341.2202
SMILES	CCCCCCCCCCCC=CC(C(=O)O)C(=O)NCC(=O)O
InChI Key	QGGUVHSHNNVAGJ-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	1,3-dicarbonyl compounds alpha amino acids amino fatty acids branched fatty acids carboxylic acids dicarboxylic acids and derivatives fatty acyls hydrocarbon derivatives long-chain fatty acids n-acyl amines organic oxides organonitrogen compounds organopnictogen compounds secondary carboxylic acid amides
Substituents	fatty acyl aliphatic acyclic compound carbonyl group long-chain fatty acid carboxylic acid organic oxide organonitrogen compound alpha-amino acid organopnictogen compound carboxamide group amino fatty acid branched fatty acid n-acyl-amine n-acylglycine secondary carboxylic acid amide organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative organic nitrogen compound 1,3-dicarbonyl compound organooxygen compound

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