DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:47:07 UTC
Update Date	2025-03-25 01:10:59 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02309083
Frequency	0.5
Structure
Chemical Formula	C₄₄H₅₈N₁₀O₁₂
Molecular Mass	918.4236
SMILES	CC(C)C(NC(=O)C(CCCC(=O)O)NC(=O)CNC(=O)CNC(=O)C(N)Cc1ccc(O)cc1)C(=O)NC(Cc1cnc[nH]1)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(=O)O
InChI Key	JVTPLKJPZVVQEK-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-hydroxy-2-unsubstituted benzenoids alpha amino acid amides alpha amino acids amino fatty acids amphetamines and derivatives azacyclic compounds benzene and substituted derivatives branched fatty acids carbonyl compounds carboxylic acids dicarboxylic acids and derivatives heteroaromatic compounds heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids imidazoles medium-chain fatty acids medium-chain hydroxy acids and derivatives monoalkylamines n-acyl amines n-acyl-alpha amino acids n-acylpyrrolidines organic oxides organonitrogen compounds organopnictogen compounds peptides phenylalanine and derivatives phenylpropanoic acids proline and derivatives pyrrolidinecarboxamides secondary carboxylic acid amides tertiary carboxylic acid amides tyrosine and derivatives valine and derivatives
Substituents	monocyclic benzene moiety carboxylic acid alpha-amino acid or derivatives medium-chain hydroxy acid alpha peptide organonitrogen compound alpha-amino acid hydroxy fatty acid organoheterocyclic compound n-acyl-alpha amino acid or derivatives polypeptide tyrosine or derivatives alpha-amino acid amide azacycle n-acyl-alpha-amino acid valine or derivatives heteroaromatic compound branched fatty acid n-substituted-alpha-amino acid secondary carboxylic acid amide pyrrolidine carboxylic acid or derivatives dicarboxylic acid or derivatives phenol hydrocarbon derivative primary aliphatic amine pyrrolidine-2-carboxamide fatty acyl carbonyl group aromatic heteromonocyclic compound 3-phenylpropanoic-acid heterocyclic fatty acid fatty amide n-acylpyrrolidine 1-hydroxy-2-unsubstituted benzenoid fatty acid carboxylic acid derivative organic oxide imidazole tertiary carboxylic acid amide organopnictogen compound medium-chain fatty acid pyrrolidine amphetamine or derivatives azole proline or derivatives carboxamide group amino fatty acid n-acyl-amine phenylalanine or derivatives organic oxygen compound benzenoid organic nitrogen compound organooxygen compound

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