demethylated 7,8-dihydromethanopterin





Chemical Formula:
C28H34N6O16P
Molecular Weight:
741.581 Daltons
Monoisotopic Mass:
744.2003656825 Daltons
SMILES:
C(C(C(C(CC3(=CC=C(NCC1(C=NC2(=C(N=1)C(N=C(N2)N)=O)))C=C3))O)O)O)OC4(C(C(C(O4)COP([O-])(=O)OC(C([O-])=O)CCC([O-])=O)O)O)
InChI:
1S/C28H37N6O16P/c29-28-33-24-20(25(42)34-28)32-14(9-31-24)8-30-13-3-1-12(2-4-13)7-15(35)21(39)16(36)10-47-27-23(41)22(40)18(49-27)11-48-51(45,46)50-17(26(43)44)5-6-19(37)38/h1-4,9,15-18,21-23,27,30,35-36,39-41H,5-8,10-11H2,(H,37,38)(H,43,44)(H,45,46)(H3,29,31,33,34,42)/p-3/t15-,16+,17-,18+,21-,22+,23+,27-/m0/s1
InChIKey:
HOGXLCQSFFZHQZ-XRWYNGDTSA-K

Synonyms
  • demethylated H2methanopterin

Databases
MetaCyc:  CPD-10772
PubChem (CID):  44123316