DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:15:16 UTC
Update Date	2025-03-25 00:59:17 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02236217
Frequency	0.5
Structure
Chemical Formula	C₁₇H₂₉N₅O₄S
Molecular Mass	399.194
SMILES	CSCCC(NC(=O)CNC(=O)C1CCCN1C(=O)C1CCCN1)C(N)=O
InChI Key	YMMNQNKXUBDRPN-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 azacyclic compounds carbonyl compounds carboxylic acids and derivatives dialkylamines dialkylthioethers fatty amides hydrocarbon derivatives methionine and derivatives n-acyl-alpha amino acids n-acylpyrrolidines organic oxides organopnictogen compounds peptides 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 carbonyl group amino acid or derivatives fatty amide n-acylpyrrolidine alpha-amino acid or derivatives organosulfur compound carboxylic acid derivative alpha peptide organic oxide tertiary carboxylic acid amide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine organoheterocyclic compound n-acyl-alpha amino acid or derivatives proline or derivatives secondary aliphatic amine polypeptide alpha-amino acid amide sulfenyl compound azacycle n-acyl-alpha-amino acid dialkylthioether secondary amine carboxamide group n-substituted-alpha-amino acid secondary carboxylic acid amide pyrrolidine carboxylic acid or derivatives organic oxygen compound thioether methionine or derivatives hydrocarbon derivative organic nitrogen compound pyrrolidine-2-carboxamide organooxygen compound amine

Showing information for DMID02236217