DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:55:08 UTC
Update Date	2025-03-25 00:51:55 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02190211
Frequency	0.5
Structure
Chemical Formula	C₁₇H₂₈N₄O₈
Molecular Mass	416.1907
SMILES	CC(=O)NC(CC(C)C)C(=O)NC(CC(=O)O)C(=O)NC(CCC(N)=O)C(=O)O
InChI Key	JGXCOEZQIPHFCA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic polymers
Class	polypeptides
Subclass	polypeptides
Direct Parent	polypeptides
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	acetamides alpha amino acid amides alpha amino acids aspartic acid and derivatives branched fatty acids carbonyl compounds carboxylic acids dicarboxylic acids and derivatives glutamine and derivatives hydrocarbon derivatives leucine and derivatives n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds peptides primary carboxylic acid amides secondary carboxylic acid amides
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 leucine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound acetamide n-acyl-alpha amino acid or derivatives polypeptide alpha-amino acid amide n-acyl-alpha-amino acid 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 organic nitrogen compound organooxygen compound

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