DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:38:17 UTC
Update Date	2025-03-25 00:45:52 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02151773
Frequency	0.5
Structure
Chemical Formula	C₁₂H₂₁N₅O₇
Molecular Mass	347.1441
SMILES	NC(CCC(N)C(=O)O)=NC(NC(=O)CCC(N)C(=O)O)C(=O)O
InChI Key	XWDKJCVFXNKWDL-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 acids amidines carbonyl compounds carboximidamides carboxylic acids glutamine and derivatives hydrocarbon derivatives monoalkylamines n-acyl amines n-acyl-alpha amino acids organic oxides organopnictogen compounds propargyl-type 1,3-dipolar organic compounds secondary carboxylic acid amides tricarboxylic acids and derivatives
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid glutamine or derivatives fatty amide tricarboxylic acid or derivatives alpha-amino acid or derivatives amidine propargyl-type 1,3-dipolar organic compound organic oxide organonitrogen compound alpha-amino acid organopnictogen compound n-acyl-alpha amino acid or derivatives n-acyl-alpha-amino acid organic 1,3-dipolar compound carboximidamide carboxamide group n-acyl-amine alpha-dipeptide secondary carboxylic acid amide organic oxygen compound hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

Showing information for DMID02151773