DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:58:32 UTC
Update Date	2025-03-25 00:53:05 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02197838
Frequency	0.5
Structure
Chemical Formula	C₃₁H₄₆N₈O₈
Molecular Mass	658.3439
SMILES	CCC(C)C(NC(=O)C(CCCCN)NC(=O)C(N)CC(=O)O)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(Cc1ccccc1)C(=O)O
InChI Key	PJICZQVGCLVUNQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic polymers
Class	polypeptides
Subclass	polypeptides
Direct Parent	polypeptides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids amphetamines and derivatives aspartic acid and derivatives azacyclic compounds benzene and substituted derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives imidazoles isoleucine and derivatives monoalkylamines n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds peptides phenylalanine and derivatives phenylpropanoic acids secondary carboxylic acid amides
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound 3-phenylpropanoic-acid fatty amide alpha-amino acid or derivatives carboxylic acid derivative alpha peptide organic oxide imidazole organonitrogen compound alpha-amino acid organopnictogen compound isoleucine or derivatives organoheterocyclic compound amphetamine or derivatives azole n-acyl-alpha amino acid or derivatives polypeptide alpha-amino acid amide azacycle n-acyl-alpha-amino acid heteroaromatic compound carboxamide group n-acyl-amine n-substituted-alpha-amino acid secondary carboxylic acid amide phenylalanine or derivatives organic oxygen compound aspartic acid or derivatives dicarboxylic acid or derivatives hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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