DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:38:54 UTC
Update Date	2025-03-25 00:46:06 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02153259
Frequency	0.5
Structure
Chemical Formula	C₂₄H₃₁N₅O₈
Molecular Mass	517.2173
SMILES	NC(=O)CCC(NC(=O)C1CCCN1C(=O)C(Cc1ccc(O)cc1)NC(=O)C1CCC(=O)N1)C(=O)O
InChI Key	XMGJPMWVCIOYCA-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 amphetamines and derivatives azacyclic compounds benzene and substituted derivatives carbonyl compounds carboxylic acids fatty amides glutamine and derivatives hydrocarbon derivatives lactams monocarboxylic acids and derivatives n-acyl-alpha amino acids n-acylpyrrolidines organic oxides organonitrogen compounds organopnictogen compounds peptides primary carboxylic acid amides proline and derivatives pyrrolidine-2-ones pyrrolidinecarboxamides secondary carboxylic acid amides tertiary carboxylic acid amides
Substituents	primary carboxylic acid amide fatty acyl 2-pyrrolidone monocyclic benzene moiety carbonyl group lactam carboxylic acid glutamine or derivatives aromatic heteromonocyclic compound fatty amide n-acylpyrrolidine 1-hydroxy-2-unsubstituted benzenoid alpha-amino acid or derivatives carboxylic acid derivative alpha peptide organic oxide tertiary carboxylic acid amide organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine pyrrolidone 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 carboxamide group secondary carboxylic acid amide monocarboxylic acid or derivatives pyrrolidine carboxylic acid or derivatives organic oxygen compound phenol hydrocarbon derivative benzenoid organic nitrogen compound pyrrolidine-2-carboxamide organooxygen compound

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