| Properties | Image |
|---|
| MNX_ID | MNXM193351 |
 |
| reference | slm:000452101 |
| formula | C50H85O16P2 |
| global charge | -3 |
| mol weight | 1004.162 |
| InChIKey | DWVJFVWMPNNGQZ-RBHZCKHVSA-K |
| InChI | InChI=1S/C50H88O16P2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-28-31-34-37-43(51)62-39-42(64-44(52)38-35-32-29-26-23-24-27-30-33-36-41(2)3)40-63-68(60,61)66-50-47(55)45(53)46(54)49(48(50)56)65-67(57,58)59/h5-6,8-9,11-12,14-15,17-18,41-42,45-50,53-56H,4,7,10,13,16,19-40H2,1-3H3,(H,60,61)(H2,57,58,59)/p-3/b6-5-,9-8-,12-11-,15-14-,18-17-/t42-,45+,46+,47-,48-,49-,50+/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCC(=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(C)C |
MNX internals
| InChI (mnx) | InChI=1/C50H88O16P2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-28-31-34-37-43(51)62-39-42(64-44(52)38-35-32-29-26-23-24-27-30-33-36-41(2)3)40-63-68(60,61)66-50-47(55)45(53)46(54)49(48(50)56)65-67(57,58)59/h5-6,8-9,11-12,14-15,17-18,41-42,45-50,53-56H,4,7,10,13,16,19-40H2,1-3H3,(H,60,61)(H2,57,58,59)/b6-5-,9-8-,12-11-,15-14-,18-17-/t42-,45+,46+,47-,48-,49-,50+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4]/[CH:5]=[CH:6]\[CH2:7]/[CH:8]=[CH:9]\[CH2:10]/[CH:11]=[CH:12]\[CH2:13]/[CH:14]=[CH:15]\[CH2:16]/[CH:17]=[CH:18]\[CH2:19][CH2:20][CH2:21][CH2:22][CH2:25][CH2:28][CH2:31][CH2:34][CH2:37][C:43](=[O:51])[O:62][CH2:39][C@H:42]([CH2:40][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]([CH2:38][CH2:35][CH2:32][CH2:29][CH2:26][CH2:23][CH2:24][CH2:27][CH2:30][CH2:33][CH2:36][CH:41]([CH3:2])[CH3:3])=[O:52] |
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