DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:47:09 UTC
Update Date	2025-03-25 00:49:05 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02171947
Frequency	0.5
Structure
Chemical Formula	C₁₄H₂₆N₄O₄
Molecular Mass	314.1954
SMILES	CN=C(NC)NCCCC(=O)C(O)=NC(CC(C)C)C(=O)O
InChI Key	YLXOAOGTASUVAS-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 alpha-hydroxy ketones carboximidamides carboximidic acids carboxylic acids guanidines hydrocarbon derivatives imines methyl-branched fatty acids monocarboxylic acids and derivatives organic oxides 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 guanidine imine fatty acid alpha-hydroxy ketone propargyl-type 1,3-dipolar organic compound ketone organic oxide leucine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound methyl-branched fatty acid organic 1,3-dipolar compound carboximidamide branched fatty acid monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative organic nitrogen compound organooxygen compound

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