DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:16:34 UTC
Update Date	2025-03-25 00:59:45 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02239091
Frequency	0.5
Structure
Chemical Formula	C₂₉H₄₀N₁₀O₁₀S₂
Molecular Mass	752.237
SMILES	NC(=O)CCC1NC(=O)SSCC(C(=O)NCC(N)=O)NC(=O)C(CC(N)=O)NC(=O)C(CCC(N)=O)NC(=O)C(Cc2ccccc2)NC1=O
InChI Key	SDLHHNBQWSKBGI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic polymers
Class	polypeptides
Subclass	polypeptides
Direct Parent	polypeptides
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 n-acyl-alpha amino acids organic carbonic acids and derivatives organic disulfides organic oxides organonitrogen compounds organopnictogen compounds primary carboxylic acid amides secondary carboxylic acid amides thiolactones
Substituents	primary carboxylic acid amide fatty acyl monocyclic benzene moiety carbonyl group lactam aromatic heteromonocyclic compound fatty amide alpha-amino acid or derivatives carboxylic acid derivative organic oxide organonitrogen compound alpha-amino acid organopnictogen compound thiolactone organoheterocyclic compound n-acyl-alpha amino acid or derivatives polypeptide carbonic acid derivative azacycle n-acyl-alpha-amino acid carboxamide group n-substituted-alpha-amino acid secondary carboxylic acid amide organic oxygen compound cyclic alpha peptide organic disulfide hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound

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