DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:38:27 UTC
Update Date	2025-03-25 00:45:56 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02152165
Frequency	0.5
Structure
Chemical Formula	C₁₀H₂₀N₂O₄S
Molecular Mass	264.1144
SMILES	NC(CCSCCNCCCC(=O)O)C(=O)O
InChI Key	AXHWLUDYYNHIJT-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	gamma amino acids and derivatives
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acids amino acids carbonyl compounds carboxylic acids dialkylamines dialkylthioethers dicarboxylic acids and derivatives hydrocarbon derivatives monoalkylamines organic oxides organopnictogen compounds sulfenyl compounds thia fatty acids
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid amino acid gamma amino acid or derivatives fatty acid alpha-amino acid or derivatives organosulfur compound organic oxide organonitrogen compound alpha-amino acid organopnictogen compound secondary aliphatic amine sulfenyl compound dialkylthioether secondary amine thia fatty acid organic oxygen compound thioether dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound amine

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