| Properties | Image |
|---|
| MNX_ID | MNXM1583532 |
 |
| reference | keggC:C06509 |
| formula | C58H85CoN16O14P |
| global charge | 1 |
| mol weight | 1320.323 |
| InChIKey | MQCMBMUJJHSGIF-OCUXTBADSA-M |
| InChI | InChI=1S/C48H74N11O11P.C10H12N5O3.Co/c1-23(70-71(67,68)69)22-55-38(66)16-17-45(6)29(18-35(52)63)43-48(9)47(8,21-37(54)65)28(12-15-34(51)62)40(59-48)25(3)42-46(7,20-36(53)64)26(10-13-32(49)60)30(56-42)19-31-44(4,5)27(11-14-33(50)61)39(57-31)24(2)41(45)58-43;1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15;/h19,23,26-29,43H,10-18,20-22H2,1-9H3,(H16,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67,68,69);2-4,6-7,10,16-17H,1H2,(H2,11,12,13);/q;;+2/p-1/t23-,26-,27-,28-,29+,43?,45-,46+,47+,48+;4-,6-,7-,10-;/m11./s1 |
| SMILES | C/C1=C2/N=C(/C=C3\N=C(/C(C)=C4/[C@@H](CCC(N)=O)[C@](C)(CC(N)=O)[C@](C)(C5N=C1[C@](C)(CCC(=O)NC[C@@H](C)OP(=O)(O)O)[C@H]5CC(N)=O)N4[Co+]C[C@H]1O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]1O)[C@@](C)(CC(N)=O)[C@@H]3CCC(N)=O)C(C)(C)[C@@H]2CCC(N)=O |
MNX internals
| InChI (mnx) | InChI=1/C48H74N11O11P.C10H13N5O3.Co/c1-23(70-71(67,68)69)22-55-38(66)16-17-45(6)29(18-35(52)63)43-48(9)47(8,21-37(54)65)28(12-15-34(51)62)40(59-48)25(3)42-46(7,20-36(53)64)26(10-13-32(49)60)30(56-42)19-31-44(4,5)27(11-14-33(50)61)39(57-31)24(2)41(45)58-43;1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15;/h19,23,26-29,43,59H,10-18,20-22H2,1-9H3,(H2,49,60)(H2,50,61)(H2,51,62)(H2,52,63)(H2,53,64)(H2,54,65)(H,55,66)(H2,67,68,69);2-4,6-7,10,16-17H,1H3,(H2,11,12,13);/q;;+3/b30-19-,39-24-,40-25-;;/t23-,26-,27-,28-,29+,43?,45-,46+,47+,48+;4-,6-,7-,10-;/m11./s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:23]([CH2:22][NH:55][C:38]([CH2:16][CH2:17][C@:45]1([CH3:6])[C@@H:29]([CH2:18][C:35]([NH2:52])=[O:63])[CH:43]2[C@@:48]3([CH3:9])[C@@:47]([CH3:8])([CH2:21][C:37]([NH2:54])=[O:65])[C@H:28]([CH2:12][CH2:15][C:34]([NH2:51])=[O:62])/[C:40](=[C:25](\[CH3:3])[C:42]4=[N:56]/[C:30](=[CH:19]\[C:31]5=[N:57]/[C:39](=[C:24](/[CH3:2])[C:41]1=[N:58]2)[C@@H:27]([CH2:11][CH2:14][C:33]([NH2:50])=[O:61])[C:44]5([CH3:4])[CH3:5])[C@@H:26]([CH2:10][CH2:13][C:32]([NH2:49])=[O:60])[C@:46]4([CH3:7])[CH2:20][C:36]([NH2:53])=[O:64])[NH:59]3)=[O:66])[O:70][P:71]([OH:67])([OH:68])=[O:69].[CH3:72][C@@H:75]1[C@@H:77]([OH:87])[C@@H:78]([OH:88])[C@H:81]([n:86]2[cH:74][n:85][c:76]3[c:79]([NH2:82])[n:83][cH:73][n:84][c:80]32)[O:89]1.[Co+3:90] |
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