DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:19:10 UTC
Update Date	2025-03-25 01:00:51 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02245194
Frequency	0.5
Structure
Chemical Formula	C₁₆H₂₄N₂O₅PS+
Molecular Mass	387.1138
SMILES	CN(C)Cc1ccc(C[n+]2csc(CCOP(=O)(O)O)c2CO)cc1
InChI Key	JXSPXXQKUVKMMM-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	benzenoids
Class	benzene and substituted derivatives
Subclass	phenylmethylamines
Direct Parent	phenylmethylamines
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	4,5-disubstituted thiazoles aralkylamines aromatic alcohols azacyclic compounds benzylamines heteroaromatic compounds hydrocarbon derivatives monoalkyl phosphates organic cations organic oxides organopnictogen compounds trialkylamines
Substituents	aromatic alcohol aromatic heteromonocyclic compound aralkylamine organic oxide organonitrogen compound organopnictogen compound organic cation tertiary amine organoheterocyclic compound azole alcohol azacycle heteroaromatic compound tertiary aliphatic amine 4,5-disubstituted 1,3-thiazole phenylmethylamine organic oxygen compound phosphoric acid ester benzylamine monoalkyl phosphate hydrocarbon derivative organic nitrogen compound thiazole organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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