DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:16:50 UTC
Update Date	2025-03-21 18:34:50 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00102591
Frequency	26.5
Structure
Chemical Formula	C₁₅H₃₀N₆O₄
Molecular Mass	358.2329
SMILES	CC(C)CC(NC(=O)C(C)NC(=O)C(N)CCCNC(=N)N)C(=O)O
InChI Key	YYOVLDPHIJAOSY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic polymers
Class	polypeptides
Subclass	polypeptides
Direct Parent	polypeptides
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alanine and derivatives alpha amino acid amides alpha amino acids arginine and derivatives carbonyl compounds carboximidamides carboxylic acids guanidines hydrocarbon derivatives imines leucine and derivatives methyl-branched fatty acids monoalkylamines monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids organic oxides organopnictogen compounds peptides secondary carboxylic acid amides
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid guanidine imine fatty amide fatty acid alpha-amino acid or derivatives carboxylic acid derivative alpha peptide organic oxide arginine or derivatives leucine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound n-acyl-alpha amino acid or derivatives polypeptide methyl-branched fatty acid alpha-amino acid amide n-acyl-alpha-amino acid carboximidamide carboxamide group branched fatty acid n-acyl-amine n-substituted-alpha-amino acid secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound alanine or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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