| Properties | Image |
|---|
| MNX_ID | MNXM47460 |
 |
| reference | chebi:23345 |
| formula | C45H65CoN10O8 |
| global charge | 2 |
| mol weight | 933.01 |
| InChIKey | BORCAUPXFYNHHW-OKJGWHJPSA-M |
| InChI | InChI=1S/C45H66N10O8.Co/c1-21-36-24(10-13-30(47)57)41(3,4)28(53-36)18-27-23(9-12-29(46)56)43(6,19-33(50)60)39(52-27)22(2)37-25(11-14-31(48)58)44(7,20-34(51)61)45(8,55-37)40-26(17-32(49)59)42(5,38(21)54-40)16-15-35(62)63;/h18,23-26,40H,9-17,19-20H2,1-8H3,(H14,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63);/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(N)=O)[C@@]2(C)CCC(=O)O)[C@]2(C)N=C(/C(C)=C3\N=C(/C=C4\N=C1[C@@H](CCC(N)=O)C4(C)C)[C@@H](CCC(N)=O)[C@]3(C)CC(N)=O)[C@@H](CCC(N)=O)[C@]2(C)CC(N)=O |
MNX internals
| InChI (mnx) | InChI=1/C45H66N10O8.Co/c1-21-36-24(10-13-30(47)57)41(3,4)28(53-36)18-27-23(9-12-29(46)56)43(6,19-33(50)60)39(52-27)22(2)37-25(11-14-31(48)58)44(7,20-34(51)61)45(8,55-37)40-26(17-32(49)59)42(5,38(21)54-40)16-15-35(62)63;/h18,23-26,40H,9-17,19-20H2,1-8H3,(H14,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63);/q;+3/t23-,24-,25-,26+,40-,42-,43+,44+,45+;/m1./s1 |
 |
| SMILES (mnx) | [CH3:1][C:21]1=[C:36]2[C@@H:24]([CH2:10][CH2:13][C:30](=[NH2+:47])[OH:57])[C:41]([CH3:3])([CH3:4])[C:28](=[N:53]2)[CH:18]=[C:27]2[C@@H:23]([CH2:9][CH2:12][C:29]([NH-:46])=[O:56])[C@:43]([CH3:6])([CH2:19][C:33](=[NH:50])[OH:60])[C:39](=[N:52]2)[C:22]([CH3:2])=[C:37]2[C@@H:25]([CH2:11][CH2:14][C:31](=[NH:48])[OH:58])[C@:44]([CH3:7])([CH2:20][C:34](=[NH:51])[OH:61])[C@:45]([CH3:8])([C@H:40]3[C@H:26]([CH2:17][C:32](=[NH:49])[OH:59])[C@@:42]([CH3:5])([CH2:16][CH2:15][C:35](=[O:62])[OH:63])[C:38]1=[N:54]3)[NH:55]2.[Co+3:64] |
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