DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:02:08 UTC
Update Date	2025-03-21 18:07:07 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00067226
Frequency	45.3
Structure
Chemical Formula	C₂₁H₃₉N₇O₇
Molecular Mass	501.2911
SMILES	CC(C)CC(NC(=O)C(NC(=O)C(CCCN=C(N)N)NC(=O)C(N)CC(=O)O)C(C)C)C(=O)O
InChI Key	DDGVVKRPQUYWOJ-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 carboximidamides carboxylic acids dicarboxylic acids and derivatives guanidines hydrocarbon derivatives leucine and derivatives methyl-branched fatty acids monoalkylamines n-acyl amines n-acyl-alpha amino acids organic oxides organopnictogen compounds peptides propargyl-type 1,3-dipolar organic compounds secondary carboxylic acid amides valine and derivatives
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid guanidine fatty amide fatty acid alpha-amino acid or derivatives carboxylic acid derivative alpha peptide propargyl-type 1,3-dipolar organic compound organic oxide 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 valine or derivatives organic 1,3-dipolar compound carboximidamide 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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