| Properties | Image |
|---|
| MNX_ID | MNXM179766 |
 |
| reference | slm:000014235 |
| formula | C59H98O13P |
| global charge | -1 |
| mol weight | 1046.394 |
| InChIKey | YPMPEGXPIPLWSQ-PTBDEQPPSA-M |
| InChI | InChI=1S/C59H99O13P/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-30-31-33-35-37-39-41-43-45-47-52(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)48-46-44-42-40-38-36-34-32-29-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23-24,26-27,30-31,51,54-59,62-66H,3-4,6,8-10,15-16,21-22,25,28-29,32-50H2,1-2H3,(H,67,68)/p-1/b7-5-,13-11-,14-12-,19-17-,20-18-,24-23-,27-26-,31-30-/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\C/C=C\CCCCCCCCC(=O)OC[C@H](COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C59H99O13P/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-30-31-33-35-37-39-41-43-45-47-52(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)48-46-44-42-40-38-36-34-32-29-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23-24,26-27,30-31,51,54-59,62-66H,3-4,6,8-10,15-16,21-22,25,28-29,32-50H2,1-2H3,(H,67,68)/b7-5-,13-11-,14-12-,19-17-,20-18-,24-23-,27-26-,31-30-/t51-,54-,55-,56+,57-,58-,59-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3]/[CH:5]=[CH:7]\[CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:19]\[CH2:21]/[CH:23]=[CH:24]\[CH2:25]/[CH:26]=[CH:27]\[CH2:28]/[CH:30]=[CH:31]\[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][CH2:42][CH2:40][CH2:38][CH2:36][CH2:34][CH2:32][CH2:29][CH2:22]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:61] |
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