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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 2-(alpha-Hydroxypropyl)thiamine diphosphate
ChEBI ID CHEBI:190398
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C15H25N4O8P2S
Net Charge +1
Average Mass 483.390
Monoisotopic Mass 483.08629
InChI InChI=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
InChIKey JICPENPXPGFLJB-UHFFFAOYSA-O
SMILES S1C(=[N+](C(=C1CCOP(OP(O)(O)=O)(O)=O)C)CC=2C(=NC(=NC2)C)N)C(O)CC
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). See: MetaboLights Study
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Xref Database
C21017 KEGG COMPOUND
View more database links