DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:40:05 UTC
Update Date	2025-03-25 00:46:34 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02156005
Frequency	0.5
Structure
Chemical Formula	C₂₀H₃₇N₇O₆S
Molecular Mass	503.2526
SMILES	CSCCC(NC(=O)C(CCCNC(=N)N)NC(=O)C1CCCN1C(=O)C(N)C(C)O)C(=O)O
InChI Key	YANMAMHJSDUKFO-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 hydroxy fatty acids imines methionine and derivatives 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 alcohols secondary carboxylic acid amides short-chain hydroxy acids and derivatives sulfenyl compounds tertiary carboxylic acid amides thia fatty acids
Substituents	carboxylic acid short-chain hydroxy acid alpha-amino acid or derivatives alpha peptide organonitrogen compound alpha-amino acid hydroxy fatty acid organoheterocyclic compound n-acyl-alpha amino acid or derivatives alcohol polypeptide alpha-amino acid amide sulfenyl compound azacycle n-acyl-alpha-amino acid dialkylthioether 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 tertiary carboxylic acid amide aliphatic heteromonocyclic compound organopnictogen compound pyrrolidine proline or derivatives carboximidamide carboxamide group n-acyl-amine monocarboxylic acid or derivatives thia fatty acid organic oxygen compound secondary alcohol organic nitrogen compound organooxygen compound

Showing information for DMID02156005