DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:02:00 UTC
Update Date	2025-03-25 00:54:21 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02205813
Frequency	0.5
Structure
Chemical Formula	C₃₄H₄₆N₈O₇
Molecular Mass	678.3489
SMILES	NCCCCC1NC(=O)C(CCC(N)=O)NC(=O)C(Cc2ccccc2)NC(=O)C(CCC(N)=O)NC(=O)C(Cc2ccccc2)NC1=O
InChI Key	QRZCOBORBWJMRE-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 fatty amides hydrocarbon derivatives lactams monoalkylamines organic oxides organonitrogen compounds organopnictogen compounds primary carboxylic acid amides secondary carboxylic acid amides
Substituents	primary carboxylic acid amide fatty acyl monocyclic benzene moiety carbonyl group lactam aromatic heteromonocyclic compound fatty amide alpha-amino acid or derivatives organic oxide organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound azacycle carboxamide group secondary carboxylic acid amide organic oxygen compound cyclic alpha peptide hydrocarbon derivative benzenoid primary aliphatic amine alpha-oligopeptide organic nitrogen compound organooxygen compound

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