DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 17:24:36 UTC
Update Date	2025-03-25 01:50:27 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02536100
Frequency	0.5
Structure
Chemical Formula	C₄₀H₆₀N₁₂O₁₃S₂
Molecular Mass	980.3844
SMILES	CCC(C)C1NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(N)CSSCC(C(=O)N2CC(=O)NC2C(=O)NC(CCCCN)C(=O)O)NC(=O)C(CC(N)=O)NC(=O)C(CCC(N)=O)NC1=O
InChI Key	HKZACXXEGASYLV-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 acids azacyclic compounds benzene and substituted derivatives carbonyl compounds carboxylic acids cyclic peptides fatty amides heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids imidazolidinones lactams medium-chain fatty acids medium-chain hydroxy acids and derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl-alpha amino acids organic disulfides organic oxides organonitrogen compounds organopnictogen compounds primary carboxylic acid amides secondary carboxylic acid amides tertiary carboxylic acid amides
Substituents	imidazolidine primary carboxylic acid amide fatty acyl monocyclic benzene moiety carbonyl group lactam carboxylic acid aromatic heteromonocyclic compound heterocyclic fatty acid fatty amide 1-hydroxy-2-unsubstituted benzenoid fatty acid alpha-amino acid or derivatives medium-chain hydroxy acid imidazolidinone organic oxide tertiary carboxylic acid amide organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid hydroxy fatty acid organoheterocyclic compound n-acyl-alpha amino acid or derivatives azacycle n-acyl-alpha-amino acid carboxamide group secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound cyclic alpha peptide organic disulfide phenol hydrocarbon derivative benzenoid primary aliphatic amine alpha-oligopeptide organic nitrogen compound organooxygen compound

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