DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 13:28:55 UTC
Update Date	2025-03-24 22:05:31 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01988140
Frequency	0.6
Structure
Chemical Formula	C₄₇H₆₄N₈O₉
Molecular Mass	884.4796
SMILES	CCC(C)C(C(=O)CO)N1CCCC1C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1cnc[nH]1)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(=O)NC(CC(C)C)C(=O)O
InChI Key	CIKHMSRUPMOLJP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic polymers
Class	polypeptides
Subclass	polypeptides
Direct Parent	polypeptides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1,3-aminoalcohols alcohols and polyols alpha amino acid amides alpha amino acids alpha-amino ketones alpha-hydroxy ketones amino acids amphetamines and derivatives azacyclic compounds benzene and substituted derivatives carboxylic acids fatty amides heteroaromatic compounds hydrocarbon derivatives imidazoles leucine and derivatives monocarboxylic acids and derivatives monosaccharides n-acyl-alpha amino acids n-acylpyrrolidines n-alkylpyrrolidines organic oxides organopnictogen compounds peptides phenylalanine and derivatives proline and derivatives pyrrolidinecarboxamides secondary carboxylic acid amides tertiary carboxylic acid amides trialkylamines
Substituents	monocyclic benzene moiety carboxylic acid amino acid or derivatives monosaccharide alpha-amino acid or derivatives alpha-hydroxy ketone alpha peptide ketone saccharide organonitrogen compound alpha-amino acid organoheterocyclic compound n-acyl-alpha amino acid or derivatives alcohol polypeptide 1,3-aminoalcohol alpha-amino acid amide azacycle n-acyl-alpha-amino acid heteroaromatic compound tertiary aliphatic amine n-substituted-alpha-amino acid secondary carboxylic acid amide pyrrolidine carboxylic acid or derivatives hydrocarbon derivative pyrrolidine-2-carboxamide amine fatty acyl carbonyl group aromatic heteromonocyclic compound amino acid fatty amide n-acylpyrrolidine carboxylic acid derivative organic oxide alpha-aminoketone imidazole leucine or derivatives tertiary carboxylic acid amide organopnictogen compound pyrrolidine tertiary amine amphetamine or derivatives azole proline or derivatives n-alkylpyrrolidine carboxamide group monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound benzenoid organic nitrogen compound organooxygen compound

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