| Properties | Image |
|---|
| MNX_ID | MNXM335925 |
 |
| reference | slm:000018817 |
| formula | C51H88O13P |
| global charge | -1 |
| mol weight | 940.226 |
| InChIKey | PVPRQIJEAICYBI-MJRBXUNNSA-M |
| InChI | InChI=1S/C51H89O13P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-45(53)63-43(41-61-44(52)39-37-35-33-31-29-14-12-10-8-6-4-2)42-62-65(59,60)64-51-49(57)47(55)46(54)48(56)50(51)58/h10-13,16-17,19-20,22-23,43,46-51,54-58H,3-9,14-15,18,21,24-42H2,1-2H3,(H,59,60)/p-1/b12-10-,13-11-,17-16-,20-19-,23-22-/t43-,46-,47-,48+,49-,50-,51-/m1/s1 |
| SMILES | CCCC/C=C\CCCCCCCC(=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\C/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C51H89O13P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-45(53)63-43(41-61-44(52)39-37-35-33-31-29-14-12-10-8-6-4-2)42-62-65(59,60)64-51-49(57)47(55)46(54)48(56)50(51)58/h10-13,16-17,19-20,22-23,43,46-51,54-58H,3-9,14-15,18,21,24-42H2,1-2H3,(H,59,60)/b12-10-,13-11-,17-16-,20-19-,23-22-/t43-,46-,47-,48+,49-,50-,51-/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:16]=[CH:17]\[CH2:18]/[CH:19]=[CH:20]\[CH2:21]/[CH:22]=[CH:23]\[CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][C:45](=[O:53])[O:63][C@H:43]([CH2:41][O:61][C:44]([CH2:39][CH2:37][CH2:35][CH2:33][CH2:31][CH2:29][CH2:14]/[CH:12]=[CH:10]\[CH2:8][CH2:6][CH2:4][CH3:2])=[O:52])[CH2:42][O:62][P:65]([OH:59])(=[O:60])[O:64][C@@H:51]1[C@H:49]([OH:57])[C@H:47]([OH:55])[C@@H:46]([OH:54])[C@H:48]([OH:56])[C@H:50]1[OH:58] |
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