DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:24:15 UTC
Update Date	2025-03-21 18:38:23 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00120546
Frequency	21.5
Structure
Chemical Formula	C₁₂H₂₆N₆O₃
Molecular Mass	302.2066
SMILES	N=C(N)NCCCC(N)C(=O)NCCCCC(N)C(=O)O
InChI Key	HOGMECWNPMOJQW-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	arginine and derivatives
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids amino fatty acids carbonyl compounds carboximidamides carboxylic acids guanidines hydrocarbon derivatives imines medium-chain fatty acids monoalkylamines monocarboxylic acids and derivatives n-acyl amines organic oxides organopnictogen compounds secondary carboxylic acid amides
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid guanidine imine fatty amide fatty acid organic oxide arginine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid alpha-amino acid amide carboximidamide carboxamide group amino fatty acid n-acyl-amine secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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