| Properties | Image |
|---|
| MNX_ID | MNXM736795 |
 |
| reference | chebi:33907 |
| formula | C45H59CoN4O14 |
| global charge | 2 |
| mol weight | 938.914 |
| InChIKey | SXATWJGWOIKDIW-OKJGWHJPSA-M |
| InChI | InChI=1S/C45H60N4O14.Co/c1-21-36-24(10-13-30(52)53)41(3,4)28(47-36)18-27-23(9-12-29(50)51)43(6,19-34(60)61)39(46-27)22(2)37-25(11-14-31(54)55)44(7,20-35(62)63)45(8,49-37)40-26(17-33(58)59)42(5,38(21)48-40)16-15-32(56)57;/h18,23-26,40H,9-17,19-20H2,1-8H3,(H8,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63);/q;+3/p-1/t23-,24-,25-,26+,40-,42-,43+,44+,45+;/m1./s1 |
| SMILES | C/C1=C2/N([Co+2])[C@H]([C@H](CC(=O)O)[C@@]2(C)CCC(=O)O)[C@]2(C)N=C(/C(C)=C3\N=C(/C=C4\N=C1[C@@H](CCC(=O)O)C4(C)C)[C@@H](CCC(=O)O)[C@]3(C)CC(=O)O)[C@@H](CCC(=O)O)[C@]2(C)CC(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C45H60N4O14.Co/c1-21-36-24(10-13-30(52)53)41(3,4)28(47-36)18-27-23(9-12-29(50)51)43(6,19-34(60)61)39(46-27)22(2)37-25(11-14-31(54)55)44(7,20-35(62)63)45(8,49-37)40-26(17-33(58)59)42(5,38(21)48-40)16-15-32(56)57;/h18,23-26,40H,9-17,19-20H2,1-8H3,(H8,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63);/q;+3/t23-,24-,25-,26+,40-,42-,43+,44+,45+;/m1./s1 |
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| SMILES (mnx) | [CH3:1][C:21]1=[C:36]2[C@@H:24]([CH2:10][CH2:13][C:30](=[O:52])[OH:53])[C:41]([CH3:3])([CH3:4])[C:28](=[N:47]2)[CH:18]=[C:27]2[C@@H:23]([CH2:9][CH2:12][C:29](=[O:50])[OH:51])[C@:43]([CH3:6])([CH2:19][C:34](=[O:60])[OH:61])[C:39](=[NH+:46]2)[C:22]([CH3:2])=[C:37]2[C@@H:25]([CH2:11][CH2:14][C:31](=[O:54])[OH:55])[C@:44]([CH3:7])([CH2:20][C:35](=[O:62])[OH:63])[C@:45]([CH3:8])([C@H:40]3[C@H:26]([CH2:17][C:33](=[O:58])[OH:59])[C@@:42]([CH3:5])([CH2:16][CH2:15][C:32](=[O:56])[OH:57])[C:38]1=[N:48]3)[N-:49]2.[Co+3:64] |
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