DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:07:29 UTC
Update Date	2025-03-21 18:29:55 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00080197
Frequency	36.3
Structure
Chemical Formula	C₁₁H₁₇N₃O₈
Molecular Mass	319.1016
SMILES	NC(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)O
InChI Key	DAUUQHDPEIJMAU-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 carbonyl compounds carboxylic acids glutamic acid and derivatives hydrocarbon derivatives n-acyl amines n-acyl-alpha amino acids n-carbamoyl-alpha amino acids organic carbonic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds secondary carboxylic acid amides tricarboxylic acids and derivatives
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid fatty amide tricarboxylic acid or derivatives alpha-amino acid or derivatives organic oxide n-carbamoyl-alpha-amino acid or derivatives organonitrogen compound alpha-amino acid organopnictogen compound n-acyl-alpha amino acid or derivatives carbonic acid derivative alpha-amino acid amide n-acyl-alpha-amino acid n-carbamoyl-alpha-amino acid glutamic acid or derivatives carboxamide group n-acyl-amine n-substituted-alpha-amino acid alpha-dipeptide secondary carboxylic acid amide organic oxygen compound hydrocarbon derivative organic nitrogen compound organooxygen compound

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