DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:58:31 UTC
Update Date	2025-03-25 00:53:05 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02197818
Frequency	0.5
Structure
Chemical Formula	C₂₉H₄₆N₈O₆
Molecular Mass	602.354
SMILES	CCC(C)C(NC(=O)C(C)N)C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(=O)O
InChI Key	OGUJEZDBRYXQQV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic polymers
Class	polypeptides
Subclass	polypeptides
Direct Parent	polypeptides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	alanine and derivatives alpha amino acid amides alpha amino acids amphetamines and derivatives azacyclic compounds benzene and substituted derivatives carbonyl compounds carboximidamides carboxylic acids guanidines hydrocarbon derivatives isoleucine and derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids n-acylpyrrolidines organic oxides organopnictogen compounds peptides phenylalanine and derivatives phenylpropanoic acids proline and derivatives propargyl-type 1,3-dipolar organic compounds pyrrolidinecarboxamides secondary carboxylic acid amides tertiary carboxylic acid amides
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound 3-phenylpropanoic-acid guanidine fatty amide n-acylpyrrolidine alpha-amino acid or derivatives carboxylic acid derivative alpha peptide propargyl-type 1,3-dipolar organic compound organic oxide tertiary carboxylic acid amide organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine isoleucine or derivatives organoheterocyclic compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives proline or derivatives polypeptide alpha-amino acid amide azacycle n-acyl-alpha-amino acid 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 phenylalanine or derivatives organic oxygen compound alanine or derivatives hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound pyrrolidine-2-carboxamide organooxygen compound

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