Ketcher 06011513572D 1 1.00000 0.00000 0 64 71 0 1 0 999 V2000 4.4157 -5.2772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0955 -5.2772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1909 -6.3969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6780 -7.2247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1909 -8.0524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0955 -9.1723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4157 -9.1723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2415 -6.2266 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2415 -8.2229 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2696 -8.2229 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9476 -9.6104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9476 -10.5745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7826 -11.0566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7826 -12.0207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6174 -12.5026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9476 -12.5026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6536 -5.5206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9476 -3.8748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7826 -3.3928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7826 -2.4287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6174 -3.8748 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9476 -4.8388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2434 -4.7903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2434 -9.6593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6536 -8.9289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5641 -10.5745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7293 -11.0569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7298 -12.0210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8952 -12.5033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5649 -12.5026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8820 -8.9289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9179 -5.5206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4360 -4.6857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4719 -4.6857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5632 -3.8748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3978 -3.3924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3975 -2.4284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2321 -1.9460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5624 -1.9468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5636 -4.8388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8820 -5.5206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3202 -6.3969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4719 -8.0939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4360 -8.0939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9179 -7.2591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9179 -8.9289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7287 -10.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5636 -9.6104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3561 -6.3969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2434 -3.8262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2434 -10.6234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1356 -9.7638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6176 -8.9289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7826 -4.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 -4.6857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3202 -8.0524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9179 -3.8507 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2696 -6.2266 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2434 -7.2290 0.0000 Co 0 0 0 0 0 0 0 0 0 0 0 0 8.6176 -5.5206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0996 -6.3556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0637 -6.3556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5458 -5.5208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5458 -7.1905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6 24 1 0 0 0 7 24 2 0 0 0 11 6 1 0 0 0 9 6 2 0 0 0 10 7 1 0 0 0 48 7 1 0 0 0 5 9 1 0 0 0 11 25 1 0 0 0 5 25 1 0 0 0 4 5 2 0 0 0 3 4 1 0 0 0 8 3 2 0 0 0 17 3 1 0 0 0 2 8 1 0 0 0 17 22 1 0 0 0 22 2 1 0 0 0 23 2 2 0 0 0 1 23 1 0 0 0 58 1 2 0 0 0 40 1 1 0 0 0 42 58 1 0 0 0 42 41 1 0 0 0 41 40 1 0 0 0 56 10 1 6 0 0 31 56 1 0 0 0 31 48 1 0 0 0 56 42 1 0 0 0 11 12 1 6 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 15 2 0 0 0 14 16 1 0 0 0 17 60 1 6 0 0 22 18 1 1 0 0 18 19 1 0 0 0 19 20 2 0 0 0 19 21 1 0 0 0 48 26 1 6 0 0 26 27 1 0 0 0 27 28 1 0 0 0 28 29 2 0 0 0 28 30 1 0 0 0 31 46 1 1 0 0 41 32 1 1 0 0 32 33 1 0 0 0 33 34 2 0 0 0 33 57 1 0 0 0 40 35 1 6 0 0 35 36 1 0 0 0 36 37 1 0 0 0 37 38 2 0 0 0 37 39 1 0 0 0 44 46 1 0 0 0 45 44 1 0 0 0 44 43 2 0 0 0 10 59 1 0 0 0 48 47 1 1 0 0 42 49 1 6 0 0 23 50 1 0 0 0 24 51 1 0 0 0 25 52 1 0 0 0 25 53 1 0 0 0 22 54 1 6 0 0 41 55 1 6 0 0 60 61 1 0 0 0 61 62 1 0 0 0 62 63 2 0 0 0 62 64 1 0 0 0 58 59 1 0 0 0 8 59 1 0 0 0 9 59 1 0 0 0 M CHG 8 8 1 9 1 16 -1 30 -1 39 -1 45 -1 58 1 59 -3 M CHG 1 64 -1 M END > CHEBI:58575 > cob(I)yrinate a,c diamide(5-) > A precorrin carboxylic acid anion obtained by global deprotonation of the carboxy groups of cob(I)yrinate a,c diamide. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). > 3 > CHEBI:85469 > cob(I)yrinate a,c diamide > C45H56CoN6O12 > 931.89510 > 931.33156 > -5 > CC1=C2N3[C@H]([C@H](CC([O-])=O)[C@@]2(C)CCC([O-])=O)[C@]2(C)[N+]4=C([C@@H](CCC([O-])=O)[C@]2(C)CC(N)=O)C(C)=C2[N+]5=C(C=C6[N+](=C1[C@@H](CCC([O-])=O)C6(C)C)[Co-3]345)[C@@H](CCC([O-])=O)[C@]2(C)CC(N)=O > InChI=1S/C45H62N6O12.Co/c1-21-36-24(10-13-32(56)57)41(3,4)28(49-36)18-27-23(9-12-31(54)55)43(6,19-29(46)52)39(48-27)22(2)37-25(11-14-33(58)59)44(7,20-30(47)53)45(8,51-37)40-26(17-35(62)63)42(5,38(21)50-40)16-15-34(60)61;/h18,23-26,40H,9-17,19-20H2,1-8H3,(H10,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63);/q;+1/p-6/t23-,24-,25-,26+,40-,42-,43+,44+,45+;/m1./s1 > NKLHEMWEQJCPPF-OKJGWHJPSA-H $$$$