DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:58:26 UTC
Update Date	2025-03-25 00:53:02 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02197593
Frequency	0.5
Structure
Chemical Formula	C₂₆H₄₆N₆O₇
Molecular Mass	554.3428
SMILES	CCC(C)C(NC(=O)C(N)C(C)O)C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)N1CCCC1C(=O)O
InChI Key	RVWCOHAACNWJLG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic polymers
Class	polypeptides
Subclass	polypeptides
Direct Parent	polypeptides
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids azacyclic compounds carbonyl compounds carboxylic acids hydrocarbon derivatives isoleucine and derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids n-acylpyrrolidines organic oxides organonitrogen compounds organopnictogen compounds peptides proline and derivatives pyrrolidine carboxylic acids pyrrolidinecarboxamides secondary alcohols secondary carboxylic acid amides tertiary carboxylic acid amides
Substituents	fatty acyl carbonyl group carboxylic acid fatty amide n-acylpyrrolidine alpha-amino acid or derivatives carboxylic acid derivative alpha peptide organic oxide pyrrolidine carboxylic acid tertiary carboxylic acid amide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine isoleucine or derivatives organoheterocyclic compound n-acyl-alpha amino acid or derivatives proline or derivatives alcohol polypeptide alpha-amino acid amide azacycle n-acyl-alpha-amino acid carboxamide group n-acyl-amine n-substituted-alpha-amino acid secondary carboxylic acid amide monocarboxylic acid or derivatives pyrrolidine carboxylic acid or derivatives organic oxygen compound secondary alcohol hydrocarbon derivative primary aliphatic amine organic nitrogen compound pyrrolidine-2-carboxamide organooxygen compound

Showing information for DMID02197593