DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:27:00 UTC
Update Date	2025-03-21 18:39:44 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00127052
Frequency	20.1
Structure
Chemical Formula	C₁₀H₁₈N₂O₆
Molecular Mass	262.1165
SMILES	CCC(C)C(N)C(=O)NC(C(=O)O)C(O)C(=O)O
InChI Key	RRAIWBXWTYSOIG-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	dipeptides
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids alpha hydroxy acids and derivatives aspartic acid and derivatives beta hydroxy acids and derivatives branched fatty acids carbonyl compounds carboxylic acids dicarboxylic acids and derivatives hydrocarbon derivatives hydroxy fatty acids isoleucine and derivatives monoalkylamines monosaccharides n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds secondary alcohols secondary carboxylic acid amides short-chain hydroxy acids and derivatives
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid short-chain hydroxy acid alpha-hydroxy acid fatty amide monosaccharide fatty acid alpha-amino acid or derivatives beta-hydroxy acid saccharide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound hydroxy fatty acid isoleucine or derivatives n-acyl-alpha amino acid or derivatives alcohol alpha-amino acid amide n-acyl-alpha-amino acid hydroxy acid carboxamide group branched fatty acid n-acyl-amine alpha-dipeptide secondary carboxylic acid amide organic oxygen compound aspartic acid or derivatives secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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