N5-methyltetrahydromethanopterin

<i>N</i><sup>5</sup>-methyltetrahydromethanopterin




Chemical Formula:
C31H44N6O16P
Molecular Weight:
787.693 Daltons
Monoisotopic Mass:
790.2786160035 Daltons
SMILES:
CC([CH]1(N(C)C2(C(NC(=NC(NC(C)1)=2)N)=O)))NC4(=CC=C(CC(C(C(COC3(C(C(C(COP([O-])(=O)OC(C([O-])=O)CCC([O-])=O)O3)O)O))O)O)O)C=C4)
InChI:
1S/C31H47N6O16P/c1-13(22-14(2)34-27-23(37(22)3)28(45)36-31(32)35-27)33-16-6-4-15(5-7-16)10-17(38)24(42)18(39)11-50-30-26(44)25(43)20(52-30)12-51-54(48,49)53-19(29(46)47)8-9-21(40)41/h4-7,13-14,17-20,22,24-26,30,33,38-39,42-44H,8-12H2,1-3H3,(H,40,41)(H,46,47)(H,48,49)(H4,32,34,35,36,45)/p-3/t13-,14+,17+,18-,19+,20-,22+,24+,25-,26-,30+/m1/s1
InChIKey:
SWBKYDXMQNCIAW-ZQPYBXQSSA-K

Synonyms
  • 5-methyl-5,6,7,8-tetrahydromethanopterin
  • N5-methyl-5,6,7,8-tetrahydromethanopterin
  • 5-methyl-H4MPT
  • methyl-H4MPT
  • 5-methyl-THMPT
  • 5-methyl-tetrahydromethanopterin

Databases
MetaCyc:  METHYL-THMPT
ChEBI:  58116
PubChem (CID):  49791996 135440045
KEGG:  C04488
MetaNetX:  MNXM1643