roseoflavin 5'-phosphate

Chemical Formula:

C₁₈H₂₁N₅O₉P

Molecular Weight:

482.366 Daltons

Monoisotopic Mass:

485.13116390529996 Daltons

SMILES:

CC1(C=C3(C(=CC(N(C)C)=1)N(CC(O)C(O)C(O)COP([O-])(=O)[O-])C2(C(C(=O)[N-]C(=O)N=2)=N3)))

InChI:

1S/C18H24N5O9P/c1-8-4-9-11(5-10(8)22(2)3)23(16-14(19-9)17(27)21-18(28)20-16)6-12(24)15(26)13(25)7-32-33(29,30)31/h4-5,12-13,15,24-26H,6-7H2,1-3H3,(H3,21,27,28,29,30,31)/p-3/t12-,13+,15-/m0/s1

InChIKey:

KBASEDIREZTYND-GUTXKFCHSA-K

Synonyms

8-demethyl-8-(dimethylamino)riboflavin 5'-phosphate

Databases

MetaCyc: CPD-19839

PubChem (CID): 126961035