| Properties | Image |
|---|
| MNX_ID | MNXM1053309 |
 |
| reference | slm:000745709 |
| formula | C58H87N3O15P2 |
| global charge | -2 |
| mol weight | 1128.288 |
| InChIKey | AHNUJCWJRWNCIM-DCDHGYRRSA-L |
| InChI | InChI=1S/C58H89N3O15P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-30-31-33-35-37-39-41-43-53(62)71-47-50(74-54(63)44-42-40-38-36-34-32-29-18-16-14-12-10-8-6-4-2)48-72-77(67,68)76-78(69,70)73-49-51-55(64)56(65)57(75-51)61-46-45-52(59)60-58(61)66/h5-8,11-14,17-19,21-22,24-25,27-29,34,36,45-46,50-51,55-57,64-65H,3-4,9-10,15-16,20,23,26,30-33,35,37-44,47-49H2,1-2H3,(H,67,68)(H,69,70)(H2,59,60,66)/p-2/b7-5-,8-6-,13-11-,14-12-,19-17-,22-21-,25-24-,28-27-,29-18-,36-34-/t50-,51-,55-,56-,57-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O)OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC |
MNX internals
| InChI (mnx) | InChI=1/C58H89N3O15P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-30-31-33-35-37-39-41-43-53(62)71-47-50(74-54(63)44-42-40-38-36-34-32-29-18-16-14-12-10-8-6-4-2)48-72-77(67,68)76-78(69,70)73-49-51-55(64)56(65)57(75-51)61-46-45-52(59)60-58(61)66/h5-8,11-14,17-19,21-22,24-25,27-29,34,36,45-46,50-51,55-57,64-65H,3-4,9-10,15-16,20,23,26,30-33,35,37-44,47-49H2,1-2H3,(H,67,68)(H,69,70)(H2,59,60,66)/b7-5-,8-6-,13-11-,14-12-,19-17-,22-21-,25-24-,28-27-,29-18-,36-34-/t50-,51-,55-,56-,57-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3]/[CH:5]=[CH:7]\[CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:19]\[CH2:20]/[CH:21]=[CH:22]\[CH2:23]/[CH:24]=[CH:25]\[CH2:26]/[CH:27]=[CH:28]\[CH2:30][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][C:53](=[O:62])[O:71][CH2:47][C@H:50]([CH2:48][O:72][P:77]([OH:67])(=[O:68])[O:76][P:78]([OH:69])(=[O:70])[O:73][CH2:49][C@@H:51]1[C@@H:55]([OH:64])[C@@H:56]([OH:65])[C@H:57]([N:61]2[CH:46]=[CH:45][C:52](=[NH:59])[N:60]=[C:58]2[OH:66])[O:75]1)[O:74][C:54]([CH2:44][CH2:42][CH2:40][CH2:38]/[CH:36]=[CH:34]\[CH2:32]/[CH:29]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10]/[CH:8]=[CH:6]\[CH2:4][CH3:2])=[O:63] |
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