| Properties | Image |
|---|
| MNX_ID | MNXM233232 |
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| reference | slm:000472612 |
| formula | C53H95O13P2 |
| global charge | -3 |
| mol weight | 1002.278 |
| InChIKey | PLDCAKVYGRYFOG-STRZZLGSSA-K |
| InChI | InChI=1S/C53H98O13P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-33-34-36-38-40-42-44-52(55)62-48-51(49-65-68(60,61)64-47-50(54)46-63-67(57,58)59)66-53(56)45-43-41-39-37-35-32-18-16-14-12-10-8-6-4-2/h11,13,17,19,21-22,24-25,50-51,54H,3-10,12,14-16,18,20,23,26-49H2,1-2H3,(H,60,61)(H2,57,58,59)/p-3/b13-11-,19-17-,22-21-,25-24-/t50-,51+/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@@H](O)COP(=O)([O-])[O-])OC(=O)CCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C53H98O13P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-33-34-36-38-40-42-44-52(55)62-48-51(49-65-68(60,61)64-47-50(54)46-63-67(57,58)59)66-53(56)45-43-41-39-37-35-32-18-16-14-12-10-8-6-4-2/h11,13,17,19,21-22,24-25,50-51,54H,3-10,12,14-16,18,20,23,26-49H2,1-2H3,(H,60,61)(H2,57,58,59)/b13-11-,19-17-,22-21-,25-24-/t50-,51+/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]\[CH2:20]/[CH:21]=[CH:22]\[CH2:23]/[CH:24]=[CH:25]\[CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:33][CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][C:52](=[O:55])[O:62][CH2:48][C@H:51]([CH2:49][O:65][P:68]([OH:60])(=[O:61])[O:64][CH2:47][C@H:50]([CH2:46][O:63][P:67]([OH:57])([OH:58])=[O:59])[OH:54])[O:66][C:53]([CH2:45][CH2:43][CH2:41][CH2:39][CH2:37][CH2:35][CH2:32][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:56] |
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