DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 13:30:02 UTC
Update Date	2025-03-24 22:06:03 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01990799
Frequency	0.6
Structure
Chemical Formula	C₄₅H₇₀N₁₄O₁₀S
Molecular Mass	998.512
SMILES	CSCCC(NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC(C)C)NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)C(N)Cc1ccc(O)cc1)C(=O)O
InChI Key	BRCPWCWIYVLDKA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic polymers
Class	polypeptides
Subclass	polypeptides
Direct Parent	polypeptides
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids alpha amino acid amides alpha amino acids amphetamines and derivatives arginine and derivatives benzene and substituted derivatives carbonyl compounds carboximidamides carboxylic acids dialkylthioethers guanidines hydrocarbon derivatives hydroxy fatty acids imines leucine and derivatives methionine and derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids organic oxides organopnictogen compounds peptides phenylalanine and derivatives secondary carboxylic acid amides sulfenyl compounds thia fatty acids tyrosine and derivatives
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid guanidine imine fatty amide 1-hydroxy-2-unsubstituted benzenoid alpha-amino acid or derivatives organosulfur compound carboxylic acid derivative alpha peptide organic oxide arginine or derivatives leucine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound hydroxy fatty acid amphetamine or derivatives n-acyl-alpha amino acid or derivatives polypeptide tyrosine or derivatives sulfenyl compound alpha-amino acid amide n-acyl-alpha-amino acid dialkylthioether carboximidamide carboxamide group n-acyl-amine n-substituted-alpha-amino acid aromatic homomonocyclic compound secondary carboxylic acid amide monocarboxylic acid or derivatives thia fatty acid phenylalanine or derivatives organic oxygen compound thioether methionine or derivatives phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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