| Properties | Image |
|---|
| MNX_ID | MNXM1052810 |
 |
| reference | slm:000745210 |
| formula | C58H93N3O15P2 |
| global charge | -2 |
| mol weight | 1134.336 |
| InChIKey | BCXAEUHIJHRKGC-LNLNRNQJSA-L |
| InChI | InChI=1S/C58H95N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-28-29-31-33-35-37-39-41-43-53(62)71-47-50(74-54(63)44-42-40-38-36-34-32-30-27-20-18-16-14-12-10-8-6-4-2)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/h11-14,17-20,22-23,25-26,29,31,45-46,50-51,55-57,64-65H,3-10,15-16,21,24,27-28,30,32-44,47-49H2,1-2H3,(H,67,68)(H,69,70)(H2,59,60,66)/p-2/b13-11-,14-12-,19-17-,20-18-,23-22-,26-25-,31-29-/t50-,51-,55-,56-,57-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=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)CCCCCCCCC/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C58H95N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-28-29-31-33-35-37-39-41-43-53(62)71-47-50(74-54(63)44-42-40-38-36-34-32-30-27-20-18-16-14-12-10-8-6-4-2)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/h11-14,17-20,22-23,25-26,29,31,45-46,50-51,55-57,64-65H,3-10,15-16,21,24,27-28,30,32-44,47-49H2,1-2H3,(H,67,68)(H,69,70)(H2,59,60,66)/b13-11-,14-12-,19-17-,20-18-,23-22-,26-25-,31-29-/t50-,51-,55-,56-,57-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:19]\[CH2:21]/[CH:22]=[CH:23]\[CH2:24]/[CH:25]=[CH:26]\[CH2:28]/[CH:29]=[CH: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][CH2:36][CH2:34][CH2:32][CH2:30][CH2:27]/[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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