DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:12:07 UTC
Update Date	2025-03-25 00:58:11 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02229049
Frequency	0.5
Structure
Chemical Formula	C₁₆H₂₉N₂O₁₃PS
Molecular Mass	520.1128
SMILES	CC(=O)NC1C(O)CC(CSCCC(N)C(=O)O)(C(=O)O)OC1C(O)C(O)COP(=O)(O)O
InChI Key	JVESJQGJTJHHIU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	carbohydrates and carbohydrate conjugates
Direct Parent	c-glucuronides
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	acetamides alpha amino acids carbonyl compounds carboxylic acids dialkyl ethers dialkylthioethers dicarboxylic acids and derivatives hydrocarbon derivatives hydroxy fatty acids monoalkyl phosphates monoalkylamines organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes pyran carboxylic acids secondary alcohols secondary carboxylic acid amides short-chain hydroxy acids and derivatives sulfenyl compounds thia fatty acids
Substituents	fatty acyl carbonyl group ether carboxylic acid short-chain hydroxy acid fatty acid alpha-amino acid or derivatives organosulfur compound carboxylic acid derivative pyran carboxylic acid dialkyl ether organic oxide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound hydroxy fatty acid oxane organoheterocyclic compound acetamide c-glucuronide alcohol pyran carboxylic acid or derivatives sulfenyl compound dialkylthioether carboxamide group oxacycle secondary carboxylic acid amide thia fatty acid phosphoric acid ester thioether pyran monoalkyl phosphate secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate

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