DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:58:11 UTC
Update Date	2025-03-21 18:05:36 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00057866
Frequency	54.7
Structure
Chemical Formula	C₁₃H₁₇NO₅PS+
Molecular Mass	330.056
SMILES	Cc1c(CCOP(=O)(O)O)sc[n+]1Cc1ccccc1O
InChI Key	BHQDEVMIEIHURG-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organoheterocyclic compounds
Class	azoles
Subclass	thiazoles
Direct Parent	4,5-disubstituted thiazoles
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids azacyclic compounds benzene and substituted derivatives heteroaromatic compounds hydrocarbon derivatives monoalkyl phosphates organic cations organic oxides organonitrogen compounds organooxygen compounds organopnictogen compounds
Substituents	monocyclic benzene moiety aromatic heteromonocyclic compound 1-hydroxy-2-unsubstituted benzenoid organic oxide organonitrogen compound organopnictogen compound organic cation azacycle heteroaromatic compound 1-hydroxy-4-unsubstituted benzenoid 4,5-disubstituted 1,3-thiazole organic oxygen compound phosphoric acid ester monoalkyl phosphate phenol hydrocarbon derivative benzenoid organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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