DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:47:42 UTC
Update Date	2025-03-25 00:49:17 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02173219
Frequency	0.5
Structure
Chemical Formula	C₃₁H₄₇N₇O₆
Molecular Mass	613.3588
SMILES	CCC(C)C(NC(=O)C(CCCCN)NC(=O)C(C)N)C(=O)N1CCCC1C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O
InChI Key	DGPBRUYDBONQIH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic polymers
Class	polypeptides
Subclass	polypeptides
Direct Parent	polypeptides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	alanine and derivatives alpha amino acid amides alpha amino acids azacyclic compounds benzenoids carbonyl compounds carboxylic acids heteroaromatic compounds hydrocarbon derivatives indoles 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 pyrroles pyrrolidinecarboxamides secondary carboxylic acid amides tertiary carboxylic acid amides
Substituents	fatty acyl carbonyl group carboxylic acid indole fatty amide n-acylpyrrolidine alpha-amino acid or derivatives carboxylic acid derivative alpha peptide organic oxide aromatic heteropolycyclic compound tertiary carboxylic acid amide organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine isoleucine or derivatives organoheterocyclic compound n-acyl-alpha amino acid or derivatives proline or derivatives polypeptide alpha-amino acid amide azacycle n-acyl-alpha-amino acid heteroaromatic compound indole or derivatives 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 pyrrole alanine or derivatives hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound pyrrolidine-2-carboxamide organooxygen compound

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