Thiamine pyrophosphate

Thiamine(1+) diphosphate(1-) is an ammonium betaine that is the conjugate base of thiamine(1+) diphosphate arising from the deprotonation of one of the hydroxy groups of the terminal phosphate group. It has a role as a Saccharomyces cerevisiae metabolite and a human metabolite. It is a vitamin B1, an ammonium betaine and a thiamine phosphate. It is a conjugate base of a thiamine(1+) diphosphate. It is a conjugate acid of a thiamine(1+) diphosphate(3-).|The coenzyme form of Vitamin B1 present in many animal tissues. It is a required intermediate in the pyruvate dehydrogenase complex and the ketoglutarate dehydrogenase complex.

Molecular Weight:424.31
XLogP3:-1.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:8
Exact Mass:424.03714409
Monoisotopic Mass:424.03714409
Topological Polar Surface Area:200
Heavy Atom Count:26
Complexity:565
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes