DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:45:00 UTC
Update Date	2025-03-21 18:00:20 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00026686
Frequency	143.0
Structure
Chemical Formula	C₁₁H₁₇N₄O₇P₂S+
Molecular Mass	411.0288
SMILES	Cc1c(CCOP(=O)(O)OP(=O)(O)O)sc[n+]1Cc1cncnc1N
InChI Key	GTNYWZFQYVVFKT-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organoheterocyclic compounds
Class	diazines
Subclass	pyrimidines and pyrimidine derivatives
Direct Parent	thiamine phosphates
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	4,5-disubstituted thiazoles azacyclic compounds heteroaromatic compounds hydrocarbon derivatives imidolactams monoalkyl phosphates organic cations organic oxides organic pyrophosphates organooxygen compounds organopnictogen compounds primary amines
Substituents	aromatic heteromonocyclic compound organic oxide organonitrogen compound organopnictogen compound organic cation imidolactam thiamine-phosphate azole azacycle heteroaromatic compound organic pyrophosphate 4,5-disubstituted 1,3-thiazole organic oxygen compound phosphoric acid ester monoalkyl phosphate hydrocarbon derivative primary amine organic nitrogen compound thiazole organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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