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CHEBI:190398 - 2-(alpha-Hydroxypropyl)thiamine diphosphate

ChEBI IDCHEBI:190398
ChEBI Name2-(alpha-Hydroxypropyl)thiamine diphosphate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H25N4O8P2S
Net Charge+1
Average Mass483.400
Monoisotopic Mass483.08628
SMILESCCC(O)c1sc(CCOP(=O)(O)OP(=O)(O)O)c(C)[n+]1Cc1cnc(C)nc1N
InChIInChI=1S/C15H24N4O8P2S/c1-4-12(20)15-19(8-11-7-17-10(3)18-14(11)16)9(2)13(30-15)5-6-26-29(24,25)27-28(21,22)23/h7,12,20H,4-6,8H2,1-3H3,(H4-,16,17,18,21,22,23,24,25)/p+1
InChIKeyJICPENPXPGFLJB-UHFFFAOYSA-O
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS3854)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
2-(alpha-Hydroxypropyl)thiamine diphosphate (CHEBI:190398) is a thiamine phosphate (CHEBI:26945)
IUPAC Name 
2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-(1-hydroxypropyl)-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate
Manual XrefsDatabases
C21017KEGG COMPOUND