DeepMet

Record Information
HMDB Status	expected
Creation Date	2024-02-20 23:58:30 UTC
Update Date	2025-03-21 18:05:44 UTC
HMDB ID	HMDB0013646
Metabolite Identification
DeepMet ID	DMID00058604
Name	Adenosine thiamine triphosphate
Frequency	53.9
Structure
Chemical Formula	C₂₂H₃₁N₉O₁₃P₃S+
Molecular Mass	754.0969
SMILES	Cc1ncc(C[n+]2csc(CCOP(=O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)c2C)c(N)n1
InChI Key	FGOYXNBJKMNPDH-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleotides
Subclass	purine ribonucleotides
Direct Parent	purine ribonucleoside triphosphates
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1,2-diols 4,5-disubstituted thiazoles azacyclic compounds heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monosaccharides n-substituted imidazoles organic cations organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates primary amines purine ribonucleoside monophosphates purines and purine derivatives secondary alcohols tetrahydrofurans thiamine phosphates
Substituents	pentose phosphate purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate imidazopyrimidine pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole thiamine organonitrogen compound organopnictogen compound organic cation imidolactam purine ribonucleoside triphosphate organoheterocyclic compound thiamine-phosphate azole 1,2-diol n-substituted imidazole alcohol azacycle tetrahydrofuran heteroaromatic compound 4,5-disubstituted 1,3-thiazole oxacycle organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative purine primary amine organic nitrogen compound thiazole organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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