DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:50:53 UTC
Update Date	2025-03-25 00:50:22 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02180536
Frequency	0.5
Structure
Chemical Formula	C₁₃H₂₆N₃O₃+
Molecular Mass	272.1969
SMILES	C[N+](C)(C)CCC(=C=O)NCCCCC(N)C(=O)O
InChI Key	ZJVBTCHCFSWXNR-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	alpha amino acids
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	amino acids amino fatty acids carbonyl compounds carboxylic acids dialkylamines fatty acyls hydrocarbon derivatives medium-chain fatty acids monoalkylamines monocarboxylic acids and derivatives organic cations organic oxides organic salts organopnictogen compounds tetraalkylammonium salts ynolates
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid amino acid organic oxide organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid organic cation organic salt secondary aliphatic amine tetraalkylammonium salt quaternary ammonium salt secondary amine amino fatty acid monocarboxylic acid or derivatives organic oxygen compound ynolate hydrocarbon derivative primary aliphatic amine organic nitrogen compound amine organooxygen compound

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