DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:48:45 UTC
Update Date	2025-03-25 00:49:38 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02175611
Frequency	0.5
Structure
Chemical Formula	C₄₆H₅₃N₇O₇
Molecular Mass	815.4006
SMILES	CC(C)CC1NC(=O)C(Cc2ccccc2)NC(=O)C(Cc2ccccc2)NC(=O)C(Cc2ccccc2)NC(=O)C(Cc2ccccc2)NC(=O)C(CC(N)=O)NC1=O
InChI Key	PYEPHTOMJUCWLG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	oligopeptides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	alpha amino acids azacyclic compounds benzene and substituted derivatives carbonyl compounds carboxylic acids and derivatives cyclic peptides hydrocarbon derivatives lactams macrolactams organic oxides organonitrogen compounds organopnictogen compounds primary carboxylic acid amides secondary carboxylic acid amides
Substituents	primary carboxylic acid amide monocyclic benzene moiety carbonyl group lactam aromatic heteromonocyclic compound azacycle alpha-amino acid or derivatives carboxamide group macrolactam secondary carboxylic acid amide organic oxide organic oxygen compound cyclic alpha peptide organonitrogen compound alpha-amino acid organopnictogen compound hydrocarbon derivative benzenoid alpha-oligopeptide organic nitrogen compound organoheterocyclic compound organooxygen compound

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