(Q27105387)

2-Hydroxyethyl-ThPP (English)

5 October 2016

chemical formula

C₁₄H₂₃N₄O₈P₂S⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC1=C(SC(=[N+]1CC2=CN=C(N=C2N)C)C(C)O)CCOP(=O)(O)OP(=O)(O)O

1 reference

2-Hydroxyethyl-ThPP (English)

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

5 October 2016

Identifiers

InChI

1 reference

2-Hydroxyethyl-ThPP (English)

RRUVJGASJONMDY-UHFFFAOYSA-O

5 October 2016

InChIKey

2 references

2-Hydroxyethyl-ThPP (English)

CAS (formerly Chemical Abstracts Service)

5 October 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

10055-47-7

1 reference

stated in

25 January 2022

1 reference

3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-2-(1-hydroxyethyl)-5-(2-{[hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium (English)

5 October 2016

1 reference

2-Hydroxyethyl-ThPP (English)

5 October 2016

ChEBI ID

978

mapping relation type

1 reference

2-(1-hydroxyethyl)thiamine diphosphate (English)

5 October 2016

1 reference

1 reference

2-(1-hydroxyethyl)thiamine diphosphate (English)