DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 03:43:27 UTC
Update Date	2025-03-21 22:55:09 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00588590
Frequency	2.8
Structure
Chemical Formula	C₃₈H₅₀N₁₀O₁₁S₂
Molecular Mass	886.3102
SMILES	NC(=O)CCC1NC(=O)C(Cc2ccccc2)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(N)CSSCC(C(=O)N2CC(O)CC2C(N)=O)NC(=O)C(CC(N)=O)NC1=O
InChI Key	NNZINVWYONVKHP-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	1-hydroxy-2-unsubstituted benzenoids alpha amino acid amides alpha amino acids azacyclic compounds benzene and substituted derivatives carbonyl compounds carboxylic acids and derivatives cyclic peptides fatty amides hydrocarbon derivatives lactams macrolactams monoalkylamines n-acylpyrrolidines organic disulfides organic oxides organonitrogen compounds organopnictogen compounds primary carboxylic acid amides proline and derivatives pyrrolidinecarboxamides secondary alcohols secondary carboxylic acid amides tertiary carboxylic acid amides
Substituents	primary carboxylic acid amide fatty acyl monocyclic benzene moiety carbonyl group lactam aromatic heteromonocyclic compound fatty amide n-acylpyrrolidine 1-hydroxy-2-unsubstituted benzenoid alpha-amino acid or derivatives macrolactam organic oxide tertiary carboxylic acid amide organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine organoheterocyclic compound proline or derivatives alcohol alpha-amino acid amide azacycle carboxamide group secondary carboxylic acid amide pyrrolidine carboxylic acid or derivatives organic oxygen compound cyclic alpha peptide organic disulfide secondary alcohol phenol hydrocarbon derivative benzenoid primary aliphatic amine alpha-oligopeptide organic nitrogen compound pyrrolidine-2-carboxamide organooxygen compound

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