DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:59:40 UTC
Update Date	2025-03-21 18:06:08 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00061398
Frequency	50.7
Structure
Chemical Formula	C₉H₁₈N₄O₅
Molecular Mass	262.1277
SMILES	NC(=O)NCCCC(NC(=O)C(N)CO)C(=O)O
InChI Key	UAKXGKMASKAJKA-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 fatty acids and conjugates hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl-alpha amino acids organic carbonic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds primary alcohols secondary carboxylic acid amides serine and derivatives short-chain hydroxy acids and derivatives
Substituents	aliphatic acyclic compound carbonyl group carboxylic acid short-chain hydroxy acid 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 carbonic acid derivative alpha-amino acid amide n-acyl-alpha-amino acid carboxamide group alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative primary aliphatic amine organic nitrogen compound serine or derivatives organooxygen compound

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