DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:07:00 UTC
Update Date	2025-03-25 00:56:18 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02217521
Frequency	0.5
Structure
Chemical Formula	C₁₀H₁₇NO₄
Molecular Mass	215.1158
SMILES	CCCNC(CCCC(=O)O)C(O)=C=O
InChI Key	ABEACQALTCAZLZ-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	delta amino acids and derivatives
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	amino acids amino fatty acids carbonyl compounds carboxylic acids dialkylamines fatty acyls hydrocarbon derivatives hydroxy fatty acids medium-chain fatty acids medium-chain hydroxy acids and derivatives monocarboxylic acids and derivatives organic oxides organopnictogen compounds ynolates
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid amino acid medium-chain hydroxy acid organic oxide organonitrogen compound organopnictogen compound delta amino acid or derivatives medium-chain fatty acid hydroxy fatty acid secondary aliphatic amine secondary amine amino fatty acid monocarboxylic acid or derivatives organic oxygen compound ynolate hydrocarbon derivative organic nitrogen compound organooxygen compound amine

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