DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:13:57 UTC
Update Date	2025-03-25 00:58:50 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02233170
Frequency	0.5
Structure
Chemical Formula	C₁₂H₂₂N₂O₆
Molecular Mass	290.1478
SMILES	CCC(C)C(NC(=O)C(C)NC(CO)C(=O)O)C(=O)O
InChI Key	PSIAYHYJRFDRGW-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	alanine and derivatives alpha amino acid amides alpha amino acids amino acids beta hydroxy acids and derivatives carbonyl compounds carboxylic acids dialkylamines dicarboxylic acids and derivatives hydrocarbon derivatives hydroxy fatty acids isoleucine and derivatives methyl-branched fatty acids n-acyl-alpha amino acids organic oxides organopnictogen compounds primary alcohols secondary carboxylic acid amides serine and derivatives short-chain hydroxy acids and derivatives
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid short-chain hydroxy acid amino acid or derivatives amino acid fatty acid alpha-amino acid or derivatives beta-hydroxy acid organic oxide organonitrogen compound alpha-amino acid organopnictogen compound hydroxy fatty acid primary alcohol isoleucine or derivatives n-acyl-alpha amino acid or derivatives alcohol secondary aliphatic amine methyl-branched fatty acid alpha-amino acid amide n-acyl-alpha-amino acid hydroxy acid secondary amine carboxamide group branched fatty acid n-substituted-alpha-amino acid alpha-dipeptide secondary carboxylic acid amide organic oxygen compound dicarboxylic acid or derivatives alanine or derivatives hydrocarbon derivative organic nitrogen compound serine or derivatives organooxygen compound amine

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