2-(α-hydroxyethyl)thiamine diphosphate

Chemical Formula:

C₁₄H₂₀N₄O₈P₂S

Molecular Weight:

466.341 Daltons

Monoisotopic Mass:

469.0711824459 Daltons

SMILES:

CC2(=C(SC(C(C)O)=[N+](CC1(C=NC(C)=NC(N)=1))2)CCOP(=O)([O-])OP(=O)([O-])[O-])

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-2

InChIKey:

RRUVJGASJONMDY-UHFFFAOYSA-L

Synonyms

2-(α-hydroxyethyl)-TPP
2-(α-hydroxyethyl)-ThPP

Databases

MetaCyc: 2-ALPHA-HYDROXYETHYL-THPP

ChEBI: 58939

PubChem (CID): 46878487

Seed: cpd03049

HMDB: HMDB03904

MetaNetX: MNXM1705

KEGG: C05125