DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:52:47 UTC
Update Date	2025-03-25 00:51:06 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02184787
Frequency	0.5
Structure
Chemical Formula	C₈H₁₄N₄O₆
Molecular Mass	262.0913
SMILES	N=C(N)NOCCC(C(=O)O)C(=O)NCC(=O)O
InChI Key	LTGCASPFIAAPCT-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 acyclic compounds
Alternative Parents	1,3-dicarbonyl compounds alpha amino acids branched fatty acids carboximidamides carboxylic acids dicarboxylic acids and derivatives guanidines hydrocarbon derivatives imines n-acyl amines organic oxides organopnictogen compounds secondary carboxylic acid amides short-chain hydroxy acids and derivatives
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid short-chain hydroxy acid guanidine imine fatty amide fatty acid organic oxide organonitrogen compound alpha-amino acid organopnictogen compound carboximidamide carboxamide group branched fatty acid n-acyl-amine n-acylglycine secondary carboxylic acid amide organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative organic nitrogen compound 1,3-dicarbonyl compound organooxygen compound

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