DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:44:55 UTC
Update Date	2025-03-25 00:48:13 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02166890
Frequency	0.5
Structure
Chemical Formula	C₈H₁₅NO₄
Molecular Mass	189.1001
SMILES	CC(C)(CCC(=O)O)NCC(=O)O
InChI Key	DXEAUICGUJBNBM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	gamma amino acids and derivatives
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acids amino acids carbonyl compounds carboxylic acids dialkylamines dicarboxylic acids and derivatives hydrocarbon derivatives methyl-branched fatty acids organic oxides organopnictogen compounds
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid amino acid gamma amino acid or derivatives fatty acid alpha-amino acid or derivatives organic oxide organonitrogen compound alpha-amino acid organopnictogen compound secondary aliphatic amine methyl-branched fatty acid secondary amine branched fatty acid organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative organic nitrogen compound organooxygen compound amine

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