DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:53:30 UTC
Update Date	2025-03-25 00:51:22 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02186499
Frequency	0.5
Structure
Chemical Formula	C₁₂H₂₂N₄O₆S₂
Molecular Mass	382.0981
SMILES	NCC(O)=NCCSSCC(NC(=O)CCC(N)C(=O)O)C(=O)O
InChI Key	WURHWFFXYUFFTE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	dipeptides
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acids carbonyl compounds carboximidic acids carboxylic acids cysteine and derivatives dialkyldisulfides dicarboxylic acids and derivatives fatty acids and conjugates glutamine and derivatives hydrocarbon derivatives monoalkylamines n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds propargyl-type 1,3-dipolar organic compounds secondary carboxylic acid amides short-chain hydroxy acids and derivatives sulfenyl compounds
Substituents	fatty acyl aliphatic acyclic compound carboximidic acid carbonyl group carboxylic acid short-chain hydroxy acid glutamine or derivatives fatty amide fatty acid alpha-amino acid or derivatives organosulfur compound propargyl-type 1,3-dipolar organic compound organic oxide organonitrogen compound alpha-amino acid organopnictogen compound n-acyl-alpha amino acid or derivatives sulfenyl compound n-acyl-alpha-amino acid organic 1,3-dipolar compound carboxamide group n-acyl-amine alpha-dipeptide secondary carboxylic acid amide dialkyldisulfide organic oxygen compound organic disulfide cysteine or derivatives dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

Showing information for DMID02186499