DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:20:17 UTC
Update Date	2025-03-25 01:01:13 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02247770
Frequency	0.5
Structure
Chemical Formula	C₁₁H₂₁N₃O₆S₂
Molecular Mass	355.0872
SMILES	NC(CSSCC(CCC(=O)O)C(N)NCC(=O)O)C(=O)O
InChI Key	AKVNUQMQPKGAJB-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	delta amino acids and derivatives
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acids aminals amino acids carbonyl compounds carboxylic acids cysteine and derivatives dialkylamines dialkyldisulfides hydrocarbon derivatives monoalkylamines organic oxides organopnictogen compounds sulfenyl compounds tricarboxylic acids and derivatives
Substituents	aliphatic acyclic compound carbonyl group carboxylic acid amino acid tricarboxylic acid or derivatives alpha-amino acid or derivatives aminal organosulfur compound organic oxide organonitrogen compound alpha-amino acid organopnictogen compound delta amino acid or derivatives secondary aliphatic amine sulfenyl compound secondary amine dialkyldisulfide organic oxygen compound organic disulfide cysteine or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound amine

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