DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:03:54 UTC
Update Date	2025-03-25 00:55:03 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02210301
Frequency	0.5
Structure
Chemical Formula	C₁₆H₂₉N₃O₉
Molecular Mass	407.1904
SMILES	CC(=O)NC1C(O)C(C(O)CO)OC1(CNCCCCC(N)C(=O)O)C(=O)O
InChI Key	BEECGGNSMJNPBZ-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 heteromonocyclic compounds
Alternative Parents	acetamides alpha amino acids amino acids amino fatty acids carbonyl compounds carboxylic acids dialkyl ethers dialkylamines dicarboxylic acids and derivatives heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids medium-chain fatty acids medium-chain hydroxy acids and derivatives monoalkylamines monosaccharides organic oxides organopnictogen compounds oxacyclic compounds primary alcohols secondary alcohols secondary carboxylic acid amides tetrahydrofurans
Substituents	fatty acyl carbonyl group ether carboxylic acid amino acid heterocyclic fatty acid monosaccharide fatty acid alpha-amino acid or derivatives medium-chain hydroxy acid dialkyl ether saccharide organic oxide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid hydroxy fatty acid primary alcohol organoheterocyclic compound acetamide alcohol secondary aliphatic amine tetrahydrofuran secondary amine carboxamide group amino fatty acid beta amino acid or derivatives oxacycle secondary carboxylic acid amide organic oxygen compound secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound amine

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