DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:08:46 UTC
Update Date	2025-03-25 00:56:56 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02221643
Frequency	0.5
Structure
Chemical Formula	C₁₀H₂₀NO₅+
Molecular Mass	234.1336
SMILES	O=C(O)CC(O)CCCCCCC[N+](=O)O
InChI Key	DGSQJQOISRCFIX-UHFFFAOYSA-O
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	beta hydroxy acids and derivatives c-nitro compounds carbonyl compounds carboxylic acids hydrocarbon derivatives hydroxy fatty acids medium-chain fatty acids medium-chain hydroxy acids and derivatives monocarboxylic acids and derivatives organic oxides organic oxoanionic compounds organic oxoazanium compounds organonitrogen compounds organopnictogen compounds propargyl-type 1,3-dipolar organic compounds secondary alcohols
Substituents	aliphatic acyclic compound carbonyl group carboxylic acid allyl-type 1,3-dipolar organic compound carboxylic acid derivative medium-chain hydroxy acid organic nitro compound propargyl-type 1,3-dipolar organic compound nitro fatty acid beta-hydroxy acid organic oxide c-nitro compound organonitrogen compound organopnictogen compound medium-chain fatty acid hydroxy fatty acid organic oxoazanium alcohol organic 1,3-dipolar compound hydroxy acid monocarboxylic acid or derivatives organic oxygen compound secondary alcohol hydrocarbon derivative organic nitrogen compound organooxygen compound organic hyponitrite

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