DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:20:34 UTC
Update Date	2025-03-25 01:01:18 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02248393
Frequency	0.5
Structure
Chemical Formula	C₁₂H₂₃N₅O₆
Molecular Mass	333.1648
SMILES	N=C(N)NCCCC(N)C(=O)NC(CCC(=O)O)C(O)C(=O)O
InChI Key	UVBGMMZMGFSDKA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	peptidomimetics
Subclass	hybrid peptides
Direct Parent	hybrid glycopeptides
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids alpha hydroxy acids and derivatives amino fatty acids arginine and derivatives beta amino acids and derivatives carbonyl compounds carboximidamides carboxylic acids dicarboxylic acids and derivatives guanidines hydrocarbon derivatives hydroxy fatty acids imines medium-chain fatty acids medium-chain hydroxy acids and derivatives monoalkylamines monosaccharides n-acyl amines organic oxides organopnictogen compounds secondary alcohols secondary carboxylic acid amides
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid guanidine imine alpha-hydroxy acid fatty amide monosaccharide fatty acid alpha-amino acid or derivatives carboxylic acid derivative medium-chain hydroxy acid saccharide organic oxide arginine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid hydroxy fatty acid alcohol alpha-amino acid amide carboximidamide hydroxy acid carboxamide group amino fatty acid n-acyl-amine beta amino acid or derivatives secondary carboxylic acid amide organic oxygen compound hybrid glycopeptide secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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