DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:56:36 UTC
Update Date	2025-03-21 18:05:00 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00054106
Frequency	59.6
Structure
Chemical Formula	C₁₂H₂₁N₄O₁₃P₄S+
Molecular Mass	584.9771
SMILES	Cc1ncc(C[n+]2csc(CCOP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)c2C)c(N)n1
InChI Key	NVNLCWPJUAAFDO-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 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 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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