DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:22:12 UTC
Update Date	2025-03-25 01:01:52 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02252153
Frequency	0.5
Structure
Chemical Formula	C₇H₁₄N₄O₄
Molecular Mass	218.1015
SMILES	NC(N)=NCCCC(=O)N(O)CC(=O)O
InChI Key	ROOUVXSZVGAJMG-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 carbonyl compounds carboximidamides carboxylic acids gamma amino acids and derivatives guanidines hydrocarbon derivatives hydroxamic acids monocarboxylic acids and derivatives organic oxides organopnictogen compounds propargyl-type 1,3-dipolar organic compounds
Substituents	aliphatic acyclic compound carbonyl group carboxylic acid n-acyl-alpha-amino acid gamma amino acid or derivatives guanidine organic 1,3-dipolar compound carboximidamide propargyl-type 1,3-dipolar organic compound organic oxide monocarboxylic acid or derivatives organic oxygen compound organonitrogen compound alpha-amino acid organopnictogen compound hydrocarbon derivative organic nitrogen compound hydroxamic acid organooxygen compound

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