2-(alpha-Hydroxyethyl)thiamine diphosphate

InChI: InChI=1/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

InChIKey: InChIKey=RRUVJGASJONMDY-IKLDFBCSAS
SMILES: CC(O)C1=[N+](CC2=CN=C(C)N=C2N)C(C)=C(CCOP(O)(=O)OP(O)(O)=O)S1

Names:
    2-Hydroxyethyl-ThPP
    2-(alpha-Hydroxyethyl)thiamine diphosphate
    2-(1-hydroxyethyl)thiamine diphosphate

Registries:
    PubChem CID 440568
    ChEBI 978
    Kegg C05125
    PubChem ID 7546