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	DMID02170123
Frequency	0.5
Structure
Chemical Formula	C₁₈H₃₁NO₆
Molecular Mass	357.2151
SMILES	CCCCCCCCCCCC=CC(=O)OC(CCC(=O)O)[N+](=O)[O-]
InChI Key	CKVLBPIEWPVOAP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	lipids and lipid-like molecules
Class	fatty acyls
Subclass	fatty acids and conjugates
Direct Parent	nitro fatty acids
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	c-nitro compounds carbonyl compounds carboxylic acids dicarboxylic acids and derivatives enoate esters fatty acid esters hydrocarbon derivatives organic oxides organic oxoanionic compounds organic oxoazanium compounds organonitrogen compounds organopnictogen compounds propargyl-type 1,3-dipolar organic compounds short-chain hydroxy acids and derivatives
Substituents	aliphatic acyclic compound carbonyl group carboxylic acid short-chain hydroxy acid allyl-type 1,3-dipolar organic compound carboxylic acid derivative organic nitro compound propargyl-type 1,3-dipolar organic compound nitro fatty acid alpha,beta-unsaturated carboxylic ester organic oxide c-nitro compound organonitrogen compound organopnictogen compound organic oxoazanium enoate ester organic 1,3-dipolar compound fatty acid ester organic oxygen compound carboxylic acid ester dicarboxylic acid or derivatives hydrocarbon derivative organic nitrogen compound organooxygen compound organic hyponitrite

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