DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:03:18 UTC
Update Date	2025-03-25 00:54:49 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02208827
Frequency	0.5
Structure
Chemical Formula	C₁₉H₃₂N₆O₉
Molecular Mass	488.2231
SMILES	CC(C)C(NC(=O)C(CCC(N)=O)NC(=O)C(CCC(N)=O)NC(=O)C(N)CC(=O)O)C(=O)O
InChI Key	VOOOGQHXVMWBAH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic polymers
Class	polypeptides
Subclass	polypeptides
Direct Parent	polypeptides
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids aspartic acid and derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives glutamine and derivatives hydrocarbon derivatives methyl-branched fatty acids monoalkylamines n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds peptides primary carboxylic acid amides secondary carboxylic acid amides valine and derivatives
Substituents	primary carboxylic acid amide fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid glutamine or derivatives fatty amide fatty acid alpha-amino acid or derivatives carboxylic acid derivative alpha peptide organic oxide 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 valine or derivatives carboxamide group branched fatty acid n-acyl-amine n-substituted-alpha-amino acid secondary carboxylic acid amide organic oxygen compound aspartic acid or derivatives dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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