DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:06:28 UTC
Update Date	2025-03-25 00:56:07 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02216262
Frequency	0.5
Structure
Chemical Formula	C₁₃H₂₂N₂O₄
Molecular Mass	270.158
SMILES	CCCC=CCCC(O)=NC(CCC(N)=O)C(=O)O
InChI Key	DCNHFMMWEDUYCA-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	glutamine and derivatives
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acids carbonyl compounds carboximidic acids carboxylic acids fatty amides hydrocarbon derivatives 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 glutamine or derivatives fatty amide organic 1,3-dipolar compound carboxamide group propargyl-type 1,3-dipolar organic compound organic oxide monocarboxylic acid or derivatives organic oxygen compound organonitrogen compound alpha-amino acid organopnictogen compound hydrocarbon derivative organic nitrogen compound organooxygen compound

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