DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:01:32 UTC
Update Date	2025-03-21 18:06:53 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00065812
Frequency	73.6
Structure
Chemical Formula	C₈H₁₆N₄O₄
Molecular Mass	232.1172
SMILES	N=C(N)NCCCC(=O)NC(CO)C(=O)O
InChI Key	QNQMLSWSXVQQJP-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	n-acyl-alpha amino acids
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acids beta hydroxy acids and derivatives carbonyl compounds carboximidamides carboxylic acids gamma amino acids and derivatives guanidines hydrocarbon derivatives imines monocarboxylic acids and derivatives n-acyl amines organic oxides organopnictogen compounds primary alcohols secondary carboxylic acid amides serine and derivatives
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid gamma amino acid or derivatives guanidine imine fatty amide beta-hydroxy acid organic oxide organonitrogen compound alpha-amino acid organopnictogen compound primary alcohol alcohol n-acyl-alpha-amino acid carboximidamide hydroxy acid carboxamide group n-acyl-amine secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative organic nitrogen compound serine or derivatives organooxygen compound

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