DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:50:11 UTC
Update Date	2025-03-25 00:50:07 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02178920
Frequency	0.5
Structure
Chemical Formula	C₂₈H₅₃N₉O₆S
Molecular Mass	643.384
SMILES	CSCCC(NC(=O)C(N)CCCNC(=N)N)C(=O)N1CCCC1C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)O
InChI Key	MYEBEDGOYDBFAA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic polymers
Class	polypeptides
Subclass	polypeptides
Direct Parent	polypeptides
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids arginine and derivatives azacyclic compounds carbonyl compounds carboximidamides carboxylic acids dialkylthioethers guanidines heterocyclic fatty acids hydrocarbon derivatives imines leucine and derivatives methionine and derivatives methyl-branched fatty acids monoalkylamines monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids n-acylpyrrolidines organic oxides organopnictogen compounds peptides proline and derivatives pyrrolidinecarboxamides secondary carboxylic acid amides sulfenyl compounds tertiary carboxylic acid amides
Substituents	carboxylic acid alpha-amino acid or derivatives alpha peptide organonitrogen compound alpha-amino acid organoheterocyclic compound n-acyl-alpha amino acid or derivatives polypeptide methyl-branched fatty acid alpha-amino acid amide sulfenyl compound azacycle n-acyl-alpha-amino acid dialkylthioether branched fatty acid n-substituted-alpha-amino acid secondary carboxylic acid amide pyrrolidine carboxylic acid or derivatives thioether methionine or derivatives hydrocarbon derivative primary aliphatic amine pyrrolidine-2-carboxamide fatty acyl carbonyl group heterocyclic fatty acid guanidine imine fatty amide n-acylpyrrolidine fatty acid organosulfur compound carboxylic acid derivative organic oxide arginine or derivatives leucine or derivatives tertiary carboxylic acid amide aliphatic heteromonocyclic compound organopnictogen compound pyrrolidine proline or derivatives carboximidamide carboxamide group n-acyl-amine monocarboxylic acid or derivatives organic oxygen compound organic nitrogen compound organooxygen compound

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