DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:40:03 UTC
Update Date	2025-03-21 17:58:36 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00015525
Frequency	317.2
Structure
Chemical Formula	C₁₀H₁₆N₂O₇
Molecular Mass	276.0958
SMILES	NC(CCCC(=O)NC(CC(=O)O)C(=O)O)C(=O)O
InChI Key	MRGOUKTUPYLVBU-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	aspartic acid and derivatives
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acids carbonyl compounds carboxylic acids delta amino acids and derivatives hydrocarbon derivatives monoalkylamines n-acyl amines n-acyl-alpha amino acids 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 organic oxide organonitrogen compound alpha-amino acid organopnictogen compound delta amino acid or derivatives n-acyl-alpha amino acid or derivatives n-acyl-alpha-amino acid carboxamide group n-acyl-amine secondary carboxylic acid amide organic oxygen compound aspartic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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