Mrv1652305221922262D 92103 0 0 1 0 999 V2000 -0.6376 -1.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7496 -0.8123 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7496 0.8857 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6376 1.6892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3500 2.0660 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4685 2.8825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8206 3.3934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9391 4.2097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7053 4.5153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8035 1.6892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9278 0.8857 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7520 0.7366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1661 0.0366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7520 -0.6675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9278 -0.8123 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8035 -1.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5408 -1.9968 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6631 -2.8127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4309 -3.1147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5532 -3.9305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1330 -1.4170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7711 -1.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9049 -1.1258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2916 2.4080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0696 0.0862 0.0000 Co 0 2 0 0 0 0 0 0 0 0 0 0 0.0995 2.0991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0995 2.9241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0995 -2.0300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0995 -2.8550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5612 -0.6675 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3581 -0.4540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5612 0.7614 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3581 0.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3500 -2.8218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2912 4.7205 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1330 1.4862 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8475 1.8987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5619 1.4862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2764 1.8987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2764 2.7237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9909 1.4862 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5408 2.8910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2553 3.3035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2553 4.1286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9697 2.8910 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5408 2.0660 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6567 1.0737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3711 1.4862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3711 2.3112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0856 1.0737 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9422 -1.4170 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6567 -1.8296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3711 -1.4170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3711 -0.5920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0856 -1.8296 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8266 -6.7303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4918 -7.7003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0730 -6.3949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9931 -5.6101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4056 -6.8798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8181 -5.6101 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7381 -6.3949 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9128 -7.5508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6666 -7.8865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2455 -8.0357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3317 -8.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0464 -6.6498 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3013 -7.4344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1263 -7.4344 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6112 -8.1018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2757 -8.8555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7138 -6.1649 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7138 -5.3399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3813 -6.6498 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1660 -6.3949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0645 -3.2343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7789 -3.6468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4934 -3.2343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7789 -4.4718 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4934 -4.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0645 -2.4093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3500 -1.9968 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4934 -5.7094 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7790 -6.1218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2079 -6.1218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6041 -6.9468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7790 -6.9468 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -2.3665 -7.6613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9078 -4.4445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3209 -4.2325 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9422 1.4862 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1557 2.2831 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 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 61 25 1 0 0 0 0 11 25 1 0 0 0 0 3 25 1 0 0 0 0 15 25 1 0 0 0 0 87 88 1 0 0 0 0 M CHG 1 25 2 M END > BMDB0006316 > 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++]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;+3/p-1/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;/m1./s1 > NSLAUEAQDBERRV-DSRCUDDDSA-M > C62H89CoN13O14P > 1330.377 > 1329.571053 > 0 > 180 > 132.71622745760192 > 0 > 0 > 2 > 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-2lambda4,9,19,26,43lambda4,44lambda4,45lambda4-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-1,1-bis(ylium) > 1.14 > -5.42 > 1 > 12 > 476.41 > 349.57169999999996 > 16 > 0 > 5.40e-03 g/l > (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-2lambda4,9,19,26,43lambda4,44lambda4,45lambda4-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-1,1-bis(ylium) > 0 > BMDB0006316 > Cob(II)alamin > Co(I)-Cobalamine; Cob(2)alamin; Cob(II)alamin; Cobinamide-Co(1+); Vitamin B12r $$$$