Compound Details

 Compound-ID 1839
 Common Name 2-(alpha-Hydroxyethyl)thiamine diphosphate
 Synonyms 2-Hydroxyethyl-ThPP
 InChI InChI=1S/C14H22N4O8P2S/c1-8-12(4-5-25-28(23,24)26-27(20,21)22)29-14(9(2)19)18(8)7-11-6-16-10(3)17-13(11)15/h6,9,19H,4-5,7H2,1-3H3,(H4-,15,16,17,20,21,22,23,24)/p+1
 SMILES CC(O)c2[n+](Cc1cnc(C)nc1(N))c(C)c(CCOP(O)(=O)OP(O)(O)=O)s2
 External Links
 KEGG-COMPOUND-ID C05125
 PUBCHEM-ID 7546
 ChEBI-ID 978
58939
 METACYC-ID 2-ALPHA-HYDROXYETHYL-THPP
 METANETX-ID MNXM1705
 BioModels 978


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