Mrv1652307191923422D 92103 0 0 1 0 999 V2000 -0.6472 -1.5655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7591 -0.7620 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7591 0.9361 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.6472 1.7396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3596 2.1164 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4780 2.9329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8302 3.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9487 4.2601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7149 4.5657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7940 1.7396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9183 0.9361 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 1.7425 0.7870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1566 0.0870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7425 -0.6171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9183 -0.7620 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 0.7940 -1.5655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5313 -1.9465 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6536 -2.7624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4214 -3.0643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5437 -3.8802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1235 -1.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7616 -1.8896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8954 -1.0755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2821 2.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0601 0.1366 0.0000 Co 0 0 0 0 0 0 0 0 0 0 0 0 0.0900 2.1495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0900 2.9745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0900 -1.9797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0900 -2.8047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5708 -0.6171 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3677 -0.4036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5708 0.8118 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3677 0.5983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3596 -2.7715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3008 4.7709 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1235 1.5366 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8380 1.9491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5524 1.5366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2669 1.9491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2669 2.7741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9814 1.5366 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5313 2.9414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2458 3.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2458 4.1789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9602 2.9414 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5313 2.1164 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6663 1.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3807 1.5366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3807 2.3616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0952 1.1241 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9518 -1.3667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6663 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3807 -1.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3807 -0.5417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0952 -1.7792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8172 -6.6800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4823 -7.6499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0635 -6.3445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9836 -5.5598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3961 -6.8294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8086 -5.5598 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 0.7286 -6.3445 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9034 -7.5005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6571 -7.8361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2360 -7.9854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3222 -8.8059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0560 -6.5994 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3109 -7.3840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1359 -7.3840 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6208 -8.0515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2853 -8.8051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7234 -6.1145 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7234 -5.2895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3909 -6.5994 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1755 -6.3445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0741 -3.1840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7885 -3.5965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5030 -3.1840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7885 -4.4215 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5030 -4.8340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0741 -2.3590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3596 -1.9465 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.5030 -5.6590 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7886 -6.0715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2175 -6.0715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6136 -6.8965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7886 -6.8965 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -2.3761 -7.6110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8983 -4.3941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3114 -4.1822 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9518 1.5366 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1653 2.3335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28 1 2 0 0 0 0 1 2 1 0 0 0 0 82 1 1 0 0 0 0 30 2 1 0 0 0 0 2 25 1 0 0 0 0 30 51 1 0 0 0 0 30 32 1 0 0 0 0 51 82 1 0 0 0 0 32 3 1 0 0 0 0 32 91 1 0 0 0 0 3 4 2 0 0 0 0 5 4 1 0 0 0 0 4 26 1 0 0 0 0 5 6 1 6 0 0 0 91 5 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 35 1 0 0 0 0 8 9 2 0 0 0 0 26 10 2 0 0 0 0 10 11 1 0 0 0 0 46 10 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 36 12 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 21 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 1 6 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 89 2 0 0 0 0 20 90 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 36 46 1 0 0 0 0 46 24 1 0 0 0 0 26 27 1 0 0 0 0 28 29 1 0 0 0 0 30 31 1 1 0 0 0 32 33 1 6 0 0 0 82 34 1 1 0 0 0 36 37 1 6 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 39 41 1 0 0 0 0 42 43 1 0 0 0 0 43 45 1 0 0 0 0 43 44 2 0 0 0 0 46 42 1 1 0 0 0 91 47 1 1 0 0 0 47 48 1 0 0 0 0 48 49 2 0 0 0 0 48 50 1 0 0 0 0 51 52 1 1 0 0 0 52 53 1 0 0 0 0 53 54 2 0 0 0 0 53 55 1 0 0 0 0 56 58 2 0 0 0 0 56 63 1 0 0 0 0 60 57 2 0 0 0 0 57 65 1 0 0 0 0 58 61 1 0 0 0 0 58 60 1 0 0 0 0 59 62 1 0 0 0 0 59 61 2 0 0 0 0 62 60 1 0 0 0 0 67 62 1 1 0 0 0 65 63 2 0 0 0 0 63 64 1 0 0 0 0 65 66 1 0 0 0 0 67 72 1 0 0 0 0 67 68 1 0 0 0 0 69 68 1 0 0 0 0 74 69 1 0 0 0 0 69 70 1 6 0 0 0 70 71 1 0 0 0 0 72 74 1 0 0 0 0 72 73 1 1 0 0 0 74 75 1 1 0 0 0 87 75 1 0 0 0 0 80 79 1 0 0 0 0 83 80 1 0 0 0 0 83 84 1 0 0 0 0 83 85 1 6 0 0 0 87 84 1 0 0 0 0 87 86 2 0 0 0 0 87 88 1 0 0 0 0 81 76 1 0 0 0 0 76 77 1 0 0 0 0 77 78 2 0 0 0 0 77 79 1 0 0 0 0 82 81 1 0 0 0 0 28 16 1 0 0 0 0 91 92 1 0 0 0 0 3 25 1 0 0 0 0 11 25 1 0 0 0 0 15 25 1 0 0 0 0 61 25 1 0 0 0 0 M CHG 5 3 1 11 1 15 1 25 -4 61 1 M END > BMDB0003429 > bmdb > [H][C@]12[C@H](CC(N)=O)[C@@]3(C)CCC(=O)NC[C@@H](C)OP(O)(=O)O[C@@H]4[C@@H](CO)O[C@@H]([C@@H]4O)N4C=[N+](C5=CC(C)=C(C)C=C45)[Co-4]456N1C3=C(C)C1=[N+]4C(=CC3=[N+]5C(=C(C)C4=[N+]6[C@]2(C)[C@@](C)(CC(N)=O)[C@@H]4CCC(N)=O)[C@@](C)(CC(N)=O)[C@@H]3CCC(N)=O)C(C)(C)[C@@H]1CCC(N)=O > InChI=1S/C62H90N13O14P.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);/q;+1/p-1/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;/m1./s1 > OMAOKVYASDIYQG-DSRCUDDDSA-M > C62H89CoN13O14P > 1330.378 > 1329.572151 > 13 > 180 > 134.3875733000944 > 0 > 10 > 0 > 0 > (10S,12R,13S,17R,23R,24R,25R,30S,35S,36S,40S,41S,42R,46R)-30,35,40-tris(2-carbamoylethyl)-24,36,41-tris(carbamoylmethyl)-15,46-dihydroxy-12-(hydroxymethyl)-5,6,17,23,28,31,31,36,38,41,42-undecamethyl-15,20-dioxo-11,14,16-trioxa-2lambda5,9,19,26,43lambda5,44lambda5,45lambda5-heptaaza-15lambda5-phospha-1-cobaltadodecacyclo[27.14.1.1^{1,34}.1^{2,9}.1^{10,13}.0^{1,26}.0^{3,8}.0^{23,27}.0^{25,42}.0^{32,44}.0^{39,43}.0^{37,45}]heptatetraconta-2(47),3,5,7,27,29(44),32,34(45),37,39(43)-decaene-2,43,44,45-tetrakis(ylium)-1,1,1,1-tetrauide > -13.896496765886983 > 1 > 12 > -1 > 12.579015279137554 > 1.818551667075214 > -0.5532649023628932 > 414.17 > 338.59 > 16 > 0 > (10S,12R,13S,17R,23R,24R,25R,30S,35S,36S,40S,41S,42R,46R)-30,35,40-tris(2-carbamoylethyl)-24,36,41-tris(carbamoylmethyl)-15,46-dihydroxy-12-(hydroxymethyl)-5,6,17,23,28,31,31,36,38,41,42-undecamethyl-15,20-dioxo-11,14,16-trioxa-2lambda5,9,19,26,43lambda5,44lambda5,45lambda5-heptaaza-15lambda5-phospha-1-cobaltadodecacyclo[27.14.1.1^{1,34}.1^{2,9}.1^{10,13}.0^{1,26}.0^{3,8}.0^{23,27}.0^{25,42}.0^{32,44}.0^{39,43}.0^{37,45}]heptatetraconta-2(47),3,5,7,27,29(44),32,34(45),37,39(43)-decaene-2,43,44,45-tetrakis(ylium)-1,1,1,1-tetrauide > 0 > BMDB0003429 > Cob(I)alamin > Cob(I)alamin; Cyanocobalamin; Hydrido-Cobalamin; Hydridocobalamin; Vitamin B12s $$$$