DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:09:31 UTC
Update Date	2025-03-25 00:57:12 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02223376
Frequency	0.5
Structure
Chemical Formula	C₂₉H₃₈N₆O₇
Molecular Mass	582.2802
SMILES	NC(N)NCCCC(=O)C(=O)NC(Cc1ccc(O)cc1)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(=O)O
InChI Key	AIRUOOCEFJAZOK-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 acids amphetamines and derivatives azacyclic compounds benzene and substituted derivatives carboxylic acids dialkylamines hydrocarbon derivatives ketones monoalkylamines monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids n-acylpyrrolidines organic oxides organopnictogen compounds ortho amides orthocarboxylic acid derivatives peptides phenylalanine and derivatives phenylpropanoic acids proline and derivatives pyrrolidinecarboxamides secondary carboxylic acid amides tertiary carboxylic acid amides
Substituents	monocyclic benzene moiety carboxylic acid amino acid or derivatives alpha-amino acid or derivatives alpha peptide ketone organonitrogen compound alpha-amino acid orthocarboxylic acid derivative organoheterocyclic compound n-acyl-alpha amino acid or derivatives secondary aliphatic amine polypeptide alpha-amino acid amide azacycle n-acyl-alpha-amino acid secondary carboxylic acid amide pyrrolidine carboxylic acid or derivatives phenol hydrocarbon derivative primary aliphatic amine pyrrolidine-2-carboxamide amine fatty acyl carbonyl group aromatic heteromonocyclic compound ortho amide 3-phenylpropanoic-acid amino acid fatty amide n-acylpyrrolidine 1-hydroxy-2-unsubstituted benzenoid carboxylic acid derivative organic oxide tertiary carboxylic acid amide organopnictogen compound pyrrolidine amphetamine or derivatives proline or derivatives secondary amine carboxamide group n-acyl-amine monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound benzenoid organic nitrogen compound organooxygen compound

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