DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:59:14 UTC
Update Date	2025-03-25 00:53:25 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02199490
Frequency	0.5
Structure
Chemical Formula	C₇H₁₂N₄O₅
Molecular Mass	232.0808
SMILES	NC(=O)CC(NC(=O)CNC(N)=O)C(=O)O
InChI Key	WJGDIINGLNCVDK-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 asparagine and derivatives carbonyl compounds carboxylic acids fatty acids and conjugates fatty amides hydrocarbon derivatives monocarboxylic acids and derivatives n-acyl-alpha amino acids n-carbamoyl-alpha amino acids organic carbonic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds primary carboxylic acid amides secondary carboxylic acid amides
Substituents	primary carboxylic acid amide fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid fatty amide fatty acid alpha-amino acid or derivatives organic oxide n-carbamoyl-alpha-amino acid or derivatives organonitrogen compound alpha-amino acid organopnictogen compound asparagine or derivatives n-acyl-alpha amino acid or derivatives carbonic acid derivative alpha-amino acid amide n-acyl-alpha-amino acid n-carbamoyl-alpha-amino acid carboxamide group n-substituted-alpha-amino acid alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative organic nitrogen compound organooxygen compound

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