DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:56:43 UTC
Update Date	2025-03-25 00:52:26 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02193735
Frequency	0.5
Structure
Chemical Formula	C₁₄H₂₈N₄O₄
Molecular Mass	316.2111
SMILES	CN(C)CCC(=O)NCCC(=O)NCCCCC(N)C(=O)O
InChI Key	BGHWVCNEUKTVPA-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	beta amino acids and derivatives
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acids amino acids amino fatty acids carbonyl compounds carboxylic acids hydrocarbon derivatives medium-chain fatty acids monoalkylamines monocarboxylic acids and derivatives organic oxides organopnictogen compounds secondary carboxylic acid amides trialkylamines
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid amino acid fatty acid alpha-amino acid or derivatives organic oxide organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid tertiary amine tertiary aliphatic amine carboxamide group amino fatty acid beta amino acid or derivatives secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative primary aliphatic amine organic nitrogen compound amine organooxygen compound

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