DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:17:55 UTC
Update Date	2025-03-21 18:35:21 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00105262
Frequency	43.4
Structure
Chemical Formula	C₁₆H₃₀N₄O₅
Molecular Mass	358.2216
SMILES	CC(C)CC(N)C(O)=NC(CC(C)C)C(O)=NC(CC(N)=O)C(=O)O
InChI Key	IAJFFZORSWOZPQ-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	asparagine and derivatives
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acids branched fatty acids carbonyl compounds carboximidic acids carboxylic acids fatty amides hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds primary carboxylic acid amides propargyl-type 1,3-dipolar organic compounds short-chain hydroxy acids and derivatives
Substituents	primary carboxylic acid amide fatty acyl aliphatic acyclic compound carboximidic acid carbonyl group carboxylic acid short-chain hydroxy acid fatty amide fatty acid propargyl-type 1,3-dipolar organic compound organic oxide organonitrogen compound alpha-amino acid organopnictogen compound asparagine or derivatives organic 1,3-dipolar compound carboxamide group branched fatty acid monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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