DeepMet

Record Information
HMDB Status	expected
Creation Date	2024-02-20 23:35:58 UTC
Update Date	2025-03-21 17:57:10 UTC
HMDB ID	HMDB0001512
Metabolite Identification
DeepMet ID	DMID00006043
Name	Thiamine triphosphate
Frequency	866.8
Structure
Chemical Formula	C₁₂H₂₀N₄O₁₀P₃S+
Molecular Mass	505.0108
SMILES	Cc1ncc(C[n+]2csc(CCOP(=O)(O)OP(=O)(O)OP(=O)(O)O)c2C)c(N)n1
InChI Key	IWLROWZYZPNOFC-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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