DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:46:25 UTC
Update Date	2025-03-25 00:48:47 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02170233
Frequency	0.5
Structure
Chemical Formula	C₁₈H₃₅NO₄
Molecular Mass	329.2566
SMILES	CCCCCCCCCCCCC(CCC(=O)O)NCC(=O)O
InChI Key	VSSOJPAROZIFMS-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 acids amino fatty acids carbonyl compounds carboxylic acids dialkylamines dicarboxylic acids and derivatives gamma amino acids and derivatives hydrocarbon derivatives organic oxides organopnictogen compounds
Substituents	aliphatic acyclic compound carbonyl group long-chain fatty acid carboxylic acid amino acid or derivatives amino acid gamma amino acid or derivatives alpha-amino acid or derivatives carboxylic acid derivative organic oxide organonitrogen compound alpha-amino acid organopnictogen compound secondary aliphatic amine secondary amine amino fatty acid organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative organic nitrogen compound organooxygen compound amine

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