roseoflavin adenine dinucleotide
Chemical Formula:
C28H33N10O15P2
Molecular Weight:
811.574 Daltons
Monoisotopic Mass:
814.1836835590999 Daltons
SMILES:
CC6(=C(N(C)C)C=C5(C(N=C1(C(=O)[N-]C(=O)N=C1N(CC(C(O)C(O)COP(OP([O-])(OCC4(C(O)C(O)C(N3(C=NC2(C(N)=NC=NC=23)))O4))=O)([O-])=O)O)5))=C6))
InChI:
1S/C28H36N10O15P2/c1-11-4-12-14(5-13(11)36(2)3)37(25-19(33-12)26(44)35-28(45)34-25)6-15(39)20(41)16(40)7-50-54(46,47)53-55(48,49)51-8-17-21(42)22(43)27(52-17)38-10-32-18-23(29)30-9-31-24(18)38/h4-5,9-10,15-17,20-22,27,39-43H,6-8H2,1-3H3,(H5,29,30,31,35,44,45,46,47,48,49)/p-3/t15-,16+,17+,20-,21+,22+,27+/m0/s1
InChIKey:
Databases
MetaCyc:
CPD-19840
PubChem (CID):
126961171