Marvin 10191015272D 55 59 0 0 0 0 999 V2000 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8578 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 1.6500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5736 3.2999 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6598 4.1205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3272 2.9645 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4668 4.2920 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8794 3.5776 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5724 2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8578 3.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8578 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1433 2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1433 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 3.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0012 2.8875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7157 3.2999 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4303 2.8875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1447 3.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8591 2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0012 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4303 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7157 4.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4988 2.1575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6999 3.4913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8024 7.9036 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6273 7.9036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3898 8.6181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8023 9.3325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3896 10.0470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5646 10.0470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8021 10.7616 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 11.0398 7.1892 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 11.0397 8.6181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3898 7.1891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3898 5.7602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6274 6.4746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8024 6.4746 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 8.9773 6.4746 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 9.8024 5.0457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1434 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7145 1.2375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5 1 1 0 0 0 0 2 1 2 0 0 0 0 6 2 1 0 0 0 0 52 54 1 0 0 0 0 3 54 1 0 0 0 0 3 11 1 6 0 0 0 54 12 1 0 0 0 0 1 12 1 0 0 0 0 4 3 1 0 0 0 0 2 4 1 0 0 0 0 7 5 1 0 0 0 0 10 5 2 0 0 0 0 8 6 2 0 0 0 0 8 7 1 0 0 0 0 9 8 1 0 0 0 0 52 14 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 25 1 0 0 0 0 16 15 1 0 0 0 0 17 15 1 0 0 0 0 15 31 1 1 0 0 0 18 16 1 0 0 0 0 19 17 1 0 0 0 0 17 35 1 1 0 0 0 19 18 1 0 0 0 0 18 51 1 6 0 0 0 19 36 1 1 0 0 0 26 20 1 0 0 0 0 21 20 2 0 0 0 0 22 20 1 0 0 0 0 23 21 1 0 0 0 0 24 22 2 0 0 0 0 25 23 2 0 0 0 0 25 24 1 0 0 0 0 27 26 1 0 0 0 0 28 27 1 0 0 0 0 27 32 1 1 0 0 0 29 28 1 0 0 0 0 28 34 1 6 0 0 0 30 29 1 0 0 0 0 29 33 1 1 0 0 0 31 30 1 0 0 0 0 37 46 1 1 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 44 38 1 0 0 0 0 45 38 2 0 0 0 0 40 39 1 0 0 0 0 41 40 1 0 0 0 0 42 41 2 0 0 0 0 43 41 1 0 0 0 0 46 49 1 0 0 0 0 51 47 1 0 0 0 0 49 47 1 0 0 0 0 49 48 2 0 0 0 0 49 50 1 0 0 0 0 52 53 1 6 0 0 0 54 55 1 6 0 0 0 M CHG 3 43 -1 44 -1 50 -1 M END > CHEBI:57818 > 5,10-methylenetetrahydromethanopterin(3-) > Trianion of 5,10-methylenetetrahydromethanopterin arising from deprotonation of phosphate and carboxy groups; major species at pH 7.3. > 3 > 5,10-methylenetetrahydromethanopterin trianion; 5,10-methylenetetrahydromethanopterin > 1-{4-[(6S,6aR,7R)-3-amino-6,7-dimethyl-1-oxo-1,2,5,6,6a,7-hexahydroimidazo[1,5-f]pteridin-8(9H)-yl]phenyl}-1-deoxy-5-O-[5-O-({[(1S)-1,3-dicarboxylatopropyl]oxy}phosphinato)-alpha-D-ribofuranosyl]-D-ribitol > C31H42N6O16P > 785.66950 > 785.24114 > -3 > [H][C@]12[C@H](C)Nc3nc(N)[nH]c(=O)c3N1CN([C@@H]2C)c1ccc(C[C@H](O)[C@H](O)[C@H](O)CO[C@H]2O[C@H](COP([O-])(=O)O[C@@H](CCC([O-])=O)C([O-])=O)[C@@H](O)[C@H]2O)cc1 > InChI=1S/C31H45N6O16P/c1-13-22-14(2)36(12-37(22)23-27(33-13)34-31(32)35-28(23)45)16-5-3-15(4-6-16)9-17(38)24(42)18(39)10-50-30-26(44)25(43)20(52-30)11-51-54(48,49)53-19(29(46)47)7-8-21(40)41/h3-6,13-14,17-20,22,24-26,30,38-39,42-44H,7-12H2,1-2H3,(H,40,41)(H,46,47)(H,48,49)(H4,32,33,34,35,45)/p-3/t13-,14+,17-,18+,19-,20+,22+,24-,25+,26+,30-/m0/s1 > GBMIGEWJAPFSQI-CAFBYHECSA-K $$$$