DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:14:12 UTC
Update Date	2025-03-21 18:33:30 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00096104
Frequency	36.1
Structure
Chemical Formula	C₁₀H₁₈N₂O₅
Molecular Mass	246.1216
SMILES	CC(C)CC(NCC(=O)O)C(=O)NCC(=O)O
InChI Key	BWXPFCTVNCBFEY-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	acyl glycines
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids amino acids carbonyl compounds carboxylic acids dialkylamines dicarboxylic acids and derivatives dipeptides hydrocarbon derivatives leucine and derivatives n-acyl amines organic oxides organopnictogen compounds secondary carboxylic acid amides
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid amino acid fatty amide alpha peptide organic oxide leucine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound secondary aliphatic amine alpha-amino acid amide secondary amine carboxamide group n-acyl-amine n-acylglycine alpha-dipeptide secondary carboxylic acid amide organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative organic nitrogen compound organooxygen compound amine

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