DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:09:39 UTC
Update Date	2025-03-25 00:57:15 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02223688
Frequency	0.5
Structure
Chemical Formula	C₁₂H₂₀N₄O₉
Molecular Mass	364.123
SMILES	N=C(NC(CC(=O)O)C(=O)NCC(=O)O)NC1OC(CO)C(O)C1O
InChI Key	WVQUZPFTCNXVMV-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	acyl glycines
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids aspartic acid and derivatives carbonyl compounds carboximidamides carboxylic acids dicarboxylic acids and derivatives dipeptides guanidines heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids imines monosaccharides n-acyl amines organic oxides organopnictogen compounds oxacyclic compounds primary alcohols secondary alcohols secondary carboxylic acid amides short-chain hydroxy acids and derivatives tetrahydrofurans
Substituents	fatty acyl carbonyl group carboxylic acid short-chain hydroxy acid heterocyclic fatty acid guanidine imine fatty amide monosaccharide fatty acid alpha peptide saccharide organic oxide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound hydroxy fatty acid primary alcohol organoheterocyclic compound alcohol alpha-amino acid amide tetrahydrofuran carboximidamide carboxamide group n-acyl-amine n-acylglycine alpha-dipeptide oxacycle secondary carboxylic acid amide organic oxygen compound aspartic acid or derivatives secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative organic nitrogen compound organooxygen compound

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