DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:11:11 UTC
Update Date	2025-03-25 00:57:50 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02227023
Frequency	0.5
Structure
Chemical Formula	C₁₇H₃₂N₂O₅
Molecular Mass	344.2311
SMILES	CC(C)CC(N=C(O)C(CC(C)C)NC(=O)OC(C)(C)C)C(=O)O
InChI Key	PBTNVAYSJPRTLQ-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 carbamate esters carbonyl compounds carboximidic acids carboxylic acids hydrocarbon derivatives methyl-branched fatty acids monocarboxylic acids and derivatives organic carbonic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds 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 carbonic acid derivative methyl-branched fatty acid carbamic acid ester organic 1,3-dipolar compound branched fatty acid monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative organic nitrogen compound organooxygen compound

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