DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:46:57 UTC
Update Date	2025-03-21 18:01:09 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00031236
Frequency	132.6
Structure
Chemical Formula	C₁₀H₁₈N₄O₃
Molecular Mass	242.1379
SMILES	N=C(N)NCCCC(=O)N1CCCC1C(=O)O
InChI Key	BWFOSFSMVAXZSZ-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 heteromonocyclic compounds
Alternative Parents	alpha amino acids azacyclic compounds carbonyl compounds carboximidamides carboxylic acids gamma amino acids and derivatives guanidines hydrocarbon derivatives imines monocarboxylic acids and derivatives n-acylpyrrolidines organic oxides organopnictogen compounds proline and derivatives pyrrolidine carboxylic acids tertiary carboxylic acid amides
Substituents	carbonyl group carboxylic acid gamma amino acid or derivatives guanidine imine n-acylpyrrolidine organic oxide pyrrolidine carboxylic acid tertiary carboxylic acid amide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine organoheterocyclic compound proline or derivatives azacycle n-acyl-alpha-amino acid carboximidamide carboxamide group monocarboxylic acid or derivatives pyrrolidine carboxylic acid or derivatives organic oxygen compound hydrocarbon derivative organic nitrogen compound organooxygen compound

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