DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:55:49 UTC
Update Date	2025-03-21 18:04:42 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00052388
Frequency	110.4
Structure
Chemical Formula	C₁₅H₂₉N₃O₅
Molecular Mass	331.2107
SMILES	CC(C)CC(N)C(O)=NC(CO)C(O)=NC(CC(C)C)C(=O)O
InChI Key	XOWMDXHFSBCAKQ-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 carbonyl compounds carboximidic acids carboxylic acids hydrocarbon derivatives hydroxy fatty acids methyl-branched fatty acids monoalkylamines monocarboxylic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds primary alcohols propargyl-type 1,3-dipolar organic compounds short-chain hydroxy acids and derivatives
Substituents	fatty acyl aliphatic acyclic compound carboximidic acid carbonyl group carboxylic acid short-chain hydroxy acid fatty acid propargyl-type 1,3-dipolar organic compound organic oxide leucine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound hydroxy fatty acid primary alcohol alcohol methyl-branched fatty acid organic 1,3-dipolar compound branched fatty acid monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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