DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:54:40 UTC
Update Date	2025-03-25 00:51:46 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02189173
Frequency	0.5
Structure
Chemical Formula	C₃₃H₅₁N₉O₆
Molecular Mass	669.3962
SMILES	CC(C)CC(N)C(=O)NC(CCCN=C(N)N)C(=O)NC(C(=O)N1CCCC1C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O)C(C)C
InChI Key	GDXLBXSQOMPEJT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic polymers
Class	polypeptides
Subclass	polypeptides
Direct Parent	polypeptides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids azacyclic compounds benzenoids carbonyl compounds carboximidamides carboxylic acids guanidines heteroaromatic compounds hydrocarbon derivatives indoles leucine and derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids n-acylpyrrolidines organic oxides organopnictogen compounds peptides proline and derivatives propargyl-type 1,3-dipolar organic compounds pyrroles pyrrolidinecarboxamides secondary carboxylic acid amides tertiary carboxylic acid amides valine and derivatives
Substituents	fatty acyl carbonyl group carboxylic acid indole guanidine fatty amide n-acylpyrrolidine alpha-amino acid or derivatives carboxylic acid derivative alpha peptide propargyl-type 1,3-dipolar organic compound organic oxide aromatic heteropolycyclic compound leucine or derivatives tertiary carboxylic acid amide organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine organoheterocyclic compound n-acyl-alpha amino acid or derivatives proline or derivatives polypeptide alpha-amino acid amide azacycle n-acyl-alpha-amino acid valine or derivatives heteroaromatic compound indole or derivatives organic 1,3-dipolar compound carboximidamide 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 hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound pyrrolidine-2-carboxamide organooxygen compound

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