DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:54:36 UTC
Update Date	2025-03-25 00:51:44 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02189005
Frequency	0.5
Structure
Chemical Formula	C₁₄H₂₅N₃O₇S₂
Molecular Mass	411.1134
SMILES	CC(C)CC(NC(CSSCC(N)C(=O)O)C(=O)O)C(=O)NCC(=O)O
InChI Key	QNMXOXWFZZITGC-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	acyl glycines
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids amino acids carbonyl compounds carboxylic acids cysteine and derivatives dialkylamines dialkyldisulfides dipeptides hydrocarbon derivatives leucine and derivatives monoalkylamines n-acyl amines organic oxides organopnictogen compounds secondary carboxylic acid amides sulfenyl compounds tricarboxylic acids and derivatives
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid amino acid fatty amide tricarboxylic acid or derivatives organosulfur compound alpha peptide organic oxide leucine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound secondary aliphatic amine sulfenyl compound alpha-amino acid amide secondary amine carboxamide group n-acyl-amine n-acylglycine alpha-dipeptide secondary carboxylic acid amide dialkyldisulfide organic oxygen compound organic disulfide cysteine or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound amine

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