| Properties | Image |
|---|
| MNX_ID | MNXM1107793 |
 |
| reference | chebi:70792 |
| formula | C45H52CoN4O14 |
| global charge | -6 |
| mol weight | 931.858 |
| InChIKey | DPVDDBUQBNNVPO-WTEINHRPSA-F |
| InChI | InChI=1S/C45H60N4O14.Co/c1-21-36-24(9-12-29(50)51)23(3)44(7,48-36)18-28-25(10-13-30(52)53)42(5,19-34(60)61)39(46-28)22(2)37-26(11-14-31(54)55)43(6,20-35(62)63)45(8,49-37)40-27(17-33(58)59)41(4,38(21)47-40)16-15-32(56)57;/h21,26-27,40H,9-20H2,1-8H3,(H8,46,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63);/q;+2/p-8/t21?,26-,27+,40-,41-,42+,43+,44+,45+;/m1./s1 |
| SMILES | CC1=C2[C@@H](CCC(=O)[O-])[C@](C)(CC(=O)[O-])[C@]3(C)[C@H]4[C@H](CC(=O)[O-])[C@@](C)(CCC(=O)[O-])C5=[N+]4[Co-2]4(N23)[N+]2=C1[C@@](C)(CC(=O)[O-])C(CCC(=O)[O-])=C2C[C@@]1(C)C(C)=C(CCC(=O)[O-])C(=[N+]14)C5C |
MNX internals
| InChI (mnx) | InChI=1/C45H60N4O14.Co/c1-21-36-24(9-12-29(50)51)23(3)44(7,48-36)18-28-25(10-13-30(52)53)42(5,19-34(60)61)39(46-28)22(2)37-26(11-14-31(54)55)43(6,20-35(62)63)45(8,49-37)40-27(17-33(58)59)41(4,38(21)47-40)16-15-32(56)57;/h21,26-27,40H,9-20H2,1-8H3,(H8,46,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63);/q;+2/t21?,26-,27+,40-,41-,42+,43+,44+,45+;/m1./s1 |
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| SMILES (mnx) | [CH3:1][CH:21]1[C:36]2=[N:48][C@@:44]([CH3:7])([CH2:18][C:28]3=[C:25]([CH2:10][CH2:13][C:30](=[O:52])[OH:53])[C@:42]([CH3:5])([CH2:19][C:34](=[O:60])[OH:61])[C:39](=[NH+:46]3)[C:22]([CH3:2])=[C:37]3[C@@H:26]([CH2:11][CH2:14][C:31](=[O:54])[OH:55])[C@:43]([CH3:6])([CH2:20][C:35](=[O:62])[OH:63])[C@:45]([CH3:8])([C@H:40]4[C@H:27]([CH2:17][C:33](=[O:58])[OH:59])[C@@:41]([CH3:4])([CH2:16][CH2:15][C:32](=[O:56])[OH:57])[C:38]1=[N:47]4)[N-:49]3)[C:23]([CH3:3])=[C:24]2[CH2:9][CH2:12][C:29](=[O:50])[OH:51].[Co+2:64] |
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