DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:09:24 UTC
Update Date	2025-03-25 00:57:10 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02223102
Frequency	0.5
Structure
Chemical Formula	C₈H₁₆N₂O₅S
Molecular Mass	252.078
SMILES	NC(CCC(=O)O)C(O)NC(CS)C(=O)O
InChI Key	FMHXPJQKQMWUBV-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	alkylthiols alpha amino acids amino acids carbonyl compounds carboxylic acids cysteine and derivatives dialkylamines dicarboxylic acids and derivatives fatty acids and conjugates hemiaminals hydrocarbon derivatives monoalkylamines organic oxides organopnictogen compounds organosulfur compounds short-chain hydroxy acids and derivatives
Substituents	aliphatic acyclic compound carbonyl group carboxylic acid short-chain hydroxy acid amino acid gamma amino acid or derivatives fatty acid alpha-amino acid or derivatives organosulfur compound hemiaminal organic oxide organonitrogen compound alpha-amino acid organopnictogen compound alkanolamine secondary aliphatic amine secondary amine organic oxygen compound cysteine or derivatives dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound alkylthiol organooxygen compound amine

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