| Properties | Image |
|---|
| MNX_ID | MNXM1052064 |
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| reference | slm:000744464 |
| formula | C58H95N3O15P2 |
| global charge | -2 |
| mol weight | 1136.352 |
| InChIKey | FOECHHLRGYJNHN-KMRDHCDOSA-L |
| InChI | InChI=1S/C58H97N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-27-29-31-33-35-37-39-41-43-53(62)71-47-50(74-54(63)44-42-40-38-36-34-32-30-28-25-22-20-18-16-14-12-10-8-6-4-2)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/h12,14,17-20,25,28,32,34,38,40,45-46,50-51,55-57,64-65H,3-11,13,15-16,21-24,26-27,29-31,33,35-37,39,41-44,47-49H2,1-2H3,(H,67,68)(H,69,70)(H2,59,60,66)/p-2/b14-12-,19-17-,20-18-,28-25-,34-32-,40-38-/t50-,51-,55-,56-,57-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C58H97N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-27-29-31-33-35-37-39-41-43-53(62)71-47-50(74-54(63)44-42-40-38-36-34-32-30-28-25-22-20-18-16-14-12-10-8-6-4-2)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/h12,14,17-20,25,28,32,34,38,40,45-46,50-51,55-57,64-65H,3-11,13,15-16,21-24,26-27,29-31,33,35-37,39,41-44,47-49H2,1-2H3,(H,67,68)(H,69,70)(H2,59,60,66)/b14-12-,19-17-,20-18-,28-25-,34-32-,40-38-/t50-,51-,55-,56-,57-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15]/[CH:17]=[CH:19]\[CH2:21][CH2:23][CH2:24][CH2:26][CH2:27][CH2:29][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]/[CH:40]=[CH:38]\[CH2:36]/[CH:34]=[CH:32]\[CH2:30]/[CH:28]=[CH:25]\[CH2:22]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:63] |
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