DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:45:12 UTC
Update Date	2025-03-21 18:00:24 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00027132
Frequency	140.3
Structure
Chemical Formula	C₁₀H₁₇N₃O₇
Molecular Mass	291.1066
SMILES	NC(CCC(=O)NC(CO)C(=O)NCC(=O)O)C(=O)O
InChI Key	XKAHUJADEPXYAH-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	oligopeptides
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	acyl glycines alpha amino acid amides alpha amino acids carbonyl compounds carboxylic acids dicarboxylic acids and derivatives fatty acids and conjugates glutamine and derivatives hydrocarbon derivatives monoalkylamines n-acyl amines organic oxides organonitrogen compounds 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 glutamine or derivatives fatty amide fatty acid alpha-amino acid or derivatives organic oxide organonitrogen compound alpha-amino acid organopnictogen compound primary alcohol n-acyl-alpha amino acid or derivatives alcohol alpha-amino acid amide n-acyl-alpha-amino acid carboxamide group n-acyl-amine n-acylglycine n-substituted-alpha-amino acid secondary carboxylic acid amide organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine alpha-oligopeptide organic nitrogen compound serine or derivatives organooxygen compound

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