DeepMet

Record Information
HMDB Status	detected
Creation Date	2024-02-20 23:52:17 UTC
Update Date	2025-03-21 18:03:24 UTC
HMDB ID	HMDB0012154
Metabolite Identification
DeepMet ID	DMID00044031
Name	3-Dehydrocarnitine
Frequency	77.0
Structure
Chemical Formula	C₇H₁₄NO₃+
Molecular Mass	160.0968
SMILES	C[N+](C)(C)CC(=O)CC(=O)O
InChI Key	YNOWULSFLVIUDH-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	keto acids and derivatives
Subclass	short-chain keto acids and derivatives
Direct Parent	short-chain keto acids and derivatives
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha-amino ketones amines beta-hydroxy ketones beta-keto acids and derivatives carboxylic acids hydrocarbon derivatives monocarboxylic acids and derivatives organic cations organic oxides organic salts organopnictogen compounds tetraalkylammonium salts
Substituents	beta-hydroxy ketone aliphatic acyclic compound carbonyl group carboxylic acid tetraalkylammonium salt quaternary ammonium salt short-chain keto acid carboxylic acid derivative beta-keto acid ketone organic oxide monocarboxylic acid or derivatives organic oxygen compound alpha-aminoketone organonitrogen compound organopnictogen compound hydrocarbon derivative organic nitrogen compound organic cation organic salt amine organooxygen compound

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