DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:53:54 UTC
Update Date	2025-03-21 18:04:01 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00047904
Frequency	69.4
Structure
Chemical Formula	C₁₈H₃₅N₃O₄
Molecular Mass	357.2628
SMILES	CC(C)CC(=NC(CC(C)C)C(=O)O)C(O)N=C(O)C(N)CC(C)C
InChI Key	OINSVXIOYZWPSE-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	alkanolamines 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 organopnictogen compounds propargyl-type 1,3-dipolar organic compounds secondary ketimines short-chain hydroxy acids and derivatives
Substituents	fatty acyl aliphatic acyclic compound ketimine carboximidic acid carbonyl group carboxylic acid short-chain hydroxy acid imine fatty acid propargyl-type 1,3-dipolar organic compound secondary ketimine organic oxide leucine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound hydroxy fatty acid alkanolamine 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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