DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:30:38 UTC
Update Date	2025-03-21 18:41:40 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00135490
Frequency	27.5
Structure
Chemical Formula	C₁₂H₂₆N₆O₂
Molecular Mass	286.2117
SMILES	CC(C)CC(N=C(N)C(N)CCCNC(=N)N)C(=O)O
InChI Key	XAWGJEJYOLHKHI-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	leucine and derivatives
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acids amidines carbonyl compounds carboximidamides carboxylic acids guanidines hydrocarbon derivatives imines methyl-branched fatty acids monoalkylamines monocarboxylic acids and derivatives organic oxides organopnictogen compounds propargyl-type 1,3-dipolar organic compounds
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid guanidine imine fatty acid amidine propargyl-type 1,3-dipolar organic compound organic oxide leucine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound methyl-branched fatty acid organic 1,3-dipolar compound carboximidamide branched fatty acid monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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