DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:09:37 UTC
Update Date	2025-03-21 18:31:19 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00085225
Frequency	33.6
Structure
Chemical Formula	C₁₈H₂₇NO₄
Molecular Mass	321.194
SMILES	CCCCCC=CCC=CC=CC=CC(NCC(=O)O)C(=O)O
InChI Key	BXJZGILZXZBPNK-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 fatty acyls hydrocarbon derivatives organic oxides organopnictogen compounds
Substituents	aliphatic acyclic compound secondary aliphatic amine carbonyl group long-chain fatty acid carboxylic acid amino acid or derivatives amino acid alpha-amino acid or derivatives secondary amine carboxylic acid derivative amino fatty acid organic oxide organic oxygen compound organonitrogen compound alpha-amino acid dicarboxylic acid or derivatives organopnictogen compound hydrocarbon derivative organic nitrogen compound organooxygen compound amine

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