DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:46:57 UTC
Update Date	2025-03-25 00:49:02 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02171489
Frequency	0.5
Structure
Chemical Formula	C₁₃H₂₃N₅O₈
Molecular Mass	377.1547
SMILES	CN(CC(=O)NC(CC(N)=O)C(=O)O)C(=N)NC1OC(CO)C(O)C1O
InChI Key	LTGZIUFPGJRDAS-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 heteromonocyclic compounds
Alternative Parents	alpha amino acids asparagine and derivatives carbonyl compounds carboximidamides carboxylic acids fatty amides guanidines heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids imines monocarboxylic acids and derivatives monosaccharides n-acyl-alpha amino acids organic oxides organopnictogen compounds oxacyclic compounds primary alcohols primary carboxylic acid amides secondary alcohols secondary carboxylic acid amides short-chain hydroxy acids and derivatives tetrahydrofurans
Substituents	primary carboxylic acid amide fatty acyl carbonyl group carboxylic acid short-chain hydroxy acid heterocyclic fatty acid guanidine imine fatty amide monosaccharide fatty acid alpha-amino acid or derivatives saccharide organic oxide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound hydroxy fatty acid asparagine or derivatives primary alcohol organoheterocyclic compound n-acyl-alpha amino acid or derivatives alcohol n-acyl-alpha-amino acid tetrahydrofuran carboximidamide carboxamide group alpha-dipeptide oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound secondary alcohol hydrocarbon derivative organic nitrogen compound organooxygen compound

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