| Properties | Image |
|---|
| MNX_ID | MNXM180834 |
 |
| reference | slm:000036663 |
| formula | C54H94O10P |
| global charge | -1 |
| mol weight | 934.31 |
| InChIKey | KWPMTDAOXPPGAK-PIVNVENCSA-M |
| InChI | InChI=1S/C54H95O10P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-30-31-33-35-37-39-41-43-45-53(57)61-49-52(50-63-65(59,60)62-48-51(56)47-55)64-54(58)46-44-42-40-38-36-34-32-29-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,22-23,25-26,28,30,51-52,55-56H,3-10,12,14-16,21,24,27,29,31-50H2,1-2H3,(H,59,60)/p-1/b13-11-,19-17-,20-18-,23-22-,26-25-,30-28-/t51-,52+/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@@H](O)CO)OC(=O)CCCCCCCCC/C=C\CCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H95O10P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-30-31-33-35-37-39-41-43-45-53(57)61-49-52(50-63-65(59,60)62-48-51(56)47-55)64-54(58)46-44-42-40-38-36-34-32-29-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,22-23,25-26,28,30,51-52,55-56H,3-10,12,14-16,21,24,27,29,31-50H2,1-2H3,(H,59,60)/b13-11-,19-17-,20-18-,23-22-,26-25-,30-28-/t51-,52+/m0/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]\[CH2:27]/[CH:28]=[CH:30]\[CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][C:53](=[O:57])[O:61][CH2:49][C@H:52]([CH2:50][O:63][P:65]([OH:59])(=[O:60])[O:62][CH2:48][C@H:51]([CH2:47][OH:55])[OH:56])[O:64][C:54]([CH2:46][CH2:44][CH2:42][CH2:40][CH2:38][CH2:36][CH2:34][CH2:32][CH2:29]/[CH:20]=[CH:18]\[CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:58] |
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