DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 13:54:46 UTC
Update Date	2025-03-25 00:30:12 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02049694
Frequency	0.6
Structure
Chemical Formula	C₅₇H₈₇N₁₇O₁₃S
Molecular Mass	1249.639
SMILES	CSCCC(NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccccc1)NC(=O)C(CCC(N)=O)NC(=O)C(CCC(N)=O)NC(=O)C(CCC(N)=O)NC(=O)C1CCCN1C(=O)C(N)CCCNC(=N)N)C(N)=O
InChI Key	UJUJQKAKHPTRMM-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 acid amides alpha amino acids amphetamines and derivatives azacyclic compounds benzene and substituted derivatives carbonyl compounds carboximidamides carboxylic acids and derivatives dialkylthioethers glutamine and derivatives guanidines hydrocarbon derivatives imines leucine and derivatives methionine and derivatives monoalkylamines n-acyl amines n-acyl-alpha amino acids n-acylpyrrolidines organic oxides organopnictogen compounds peptides phenylalanine and derivatives primary carboxylic acid amides proline and derivatives pyrrolidinecarboxamides secondary carboxylic acid amides sulfenyl compounds tertiary carboxylic acid amides
Substituents	primary carboxylic acid amide fatty acyl monocyclic benzene moiety carbonyl group glutamine or derivatives aromatic heteromonocyclic compound guanidine imine fatty amide n-acylpyrrolidine alpha-amino acid or derivatives organosulfur compound carboxylic acid derivative alpha peptide organic oxide leucine or derivatives tertiary carboxylic acid amide organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine organoheterocyclic compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives proline or derivatives polypeptide alpha-amino acid amide sulfenyl compound azacycle n-acyl-alpha-amino acid dialkylthioether carboximidamide carboxamide group n-acyl-amine n-substituted-alpha-amino acid secondary carboxylic acid amide pyrrolidine carboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound thioether methionine or derivatives hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound pyrrolidine-2-carboxamide organooxygen compound

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