DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:09:35 UTC
Update Date	2025-03-25 00:57:14 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02223519
Frequency	0.5
Structure
Chemical Formula	C₁₁H₂₁N₃O₅
Molecular Mass	275.1481
SMILES	NC(=O)CC(CC(=O)O)NCCCCC(N)C(=O)O
InChI Key	AYEVPDIFVXNFTD-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 dialkylamines dicarboxylic acids and derivatives fatty amides hydrocarbon derivatives medium-chain fatty acids monoalkylamines organic oxides organopnictogen compounds primary carboxylic acid amides
Substituents	primary carboxylic acid amide fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid amino acid fatty amide fatty acid alpha-amino acid or derivatives organic oxide organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid secondary aliphatic amine secondary amine carboxamide group amino fatty acid beta amino acid or derivatives organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound amine

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