| Properties | Image |
|---|
| MNX_ID | MNXM218089 |
 |
| reference | slm:000433763 |
| formula | C50H87O16P2 |
| global charge | -3 |
| mol weight | 1006.178 |
| InChIKey | XKNPKEUYZVQDGE-KQWQGKKISA-K |
| InChI | InChI=1S/C50H90O16P2/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-31-32-34-36-38-43(51)62-40-42(64-44(52)39-37-35-33-30-14-12-10-8-6-4-2)41-63-68(60,61)66-50-47(55)45(53)46(54)49(48(50)56)65-67(57,58)59/h11,13,16-17,19-20,22-23,42,45-50,53-56H,3-10,12,14-15,18,21,24-41H2,1-2H3,(H,60,61)(H2,57,58,59)/p-3/b13-11-,17-16-,20-19-,23-22-/t42-,45-,46-,47-,48-,49+,50-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])O[C@H]1[C@H](O)[C@@H](OP(=O)([O-])[O-])[C@H](O)[C@@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C50H90O16P2/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-31-32-34-36-38-43(51)62-40-42(64-44(52)39-37-35-33-30-14-12-10-8-6-4-2)41-63-68(60,61)66-50-47(55)45(53)46(54)49(48(50)56)65-67(57,58)59/h11,13,16-17,19-20,22-23,42,45-50,53-56H,3-10,12,14-15,18,21,24-41H2,1-2H3,(H,60,61)(H2,57,58,59)/b13-11-,17-16-,20-19-,23-22-/t42-,45-,46-,47-,48-,49+,50-/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][CH2:29][CH2:31][CH2:32][CH2:34][CH2:36][CH2:38][C:43](=[O:51])[O:62][CH2:40][C@H:42]([CH2:41][O:63][P:68]([OH:60])(=[O:61])[O:66][C@@H:50]1[C@H:47]([OH:55])[C@H:45]([OH:53])[C@@H:46]([OH:54])[C@H:49]([O:65][P:67]([OH:57])([OH:58])=[O:59])[C@H:48]1[OH:56])[O:64][C:44]([CH2:39][CH2:37][CH2:35][CH2:33][CH2:30][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:52] |
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