| Properties | Image |
|---|
| MNX_ID | MNXM232813 |
 |
| reference | slm:000015914 |
| formula | C59H96O13P |
| global charge | -1 |
| mol weight | 1044.378 |
| InChIKey | IRQOOCIVLNFXNA-ZWSVZVRESA-M |
| InChI | InChI=1S/C59H97O13P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-32-33-35-37-39-41-43-45-47-52(60)69-49-51(50-70-73(67,68)72-59-57(65)55(63)54(62)56(64)58(59)66)71-53(61)48-46-44-42-40-38-36-34-31-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,22-23,25-26,34,36,40,42,51,54-59,62-66H,3-5,7,9-10,15-16,21,24,27-33,35,37-39,41,43-50H2,1-2H3,(H,67,68)/p-1/b8-6-,13-11-,14-12-,19-17-,20-18-,23-22-,26-25-,36-34-,42-40-/t51-,54-,55-,56+,57-,58-,59-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C59H97O13P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-32-33-35-37-39-41-43-45-47-52(60)69-49-51(50-70-73(67,68)72-59-57(65)55(63)54(62)56(64)58(59)66)71-53(61)48-46-44-42-40-38-36-34-31-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,22-23,25-26,34,36,40,42,51,54-59,62-66H,3-5,7,9-10,15-16,21,24,27-33,35,37-39,41,43-50H2,1-2H3,(H,67,68)/b8-6-,13-11-,14-12-,19-17-,20-18-,23-22-,26-25-,36-34-,42-40-/t51-,54-,55-,56+,57-,58-,59-/m1/s1 |
 |
| 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]\[CH2:27][CH2:28][CH2:29][CH2:30][CH2:32][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][C:52](=[O:60])[O:69][CH2:49][C@H:51]([CH2:50][O:70][P:73]([OH:67])(=[O:68])[O:72][C@@H:59]1[C@H:57]([OH:65])[C@H:55]([OH:63])[C@@H:54]([OH:62])[C@H:56]([OH:64])[C@H:58]1[OH:66])[O:71][C:53]([CH2:48][CH2:46][CH2:44]/[CH:42]=[CH:40]\[CH2:38]/[CH:36]=[CH:34]\[CH2:31]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10]/[CH:8]=[CH:6]\[CH2:4][CH3:2])=[O:61] |
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