| Properties | Image |
|---|
| MNX_ID | MNXM213933 |
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| reference | slm:000459163 |
| formula | C50H83O16P2 |
| global charge | -3 |
| mol weight | 1002.146 |
| InChIKey | BWJJGBKDQHGIIC-SSMVMDBUSA-K |
| InChI | InChI=1S/C50H86O16P2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-29-32-35-38-44(52)64-42(39-62-43(51)37-34-31-28-26-23-24-27-30-33-36-41(2)3)40-63-68(60,61)66-50-47(55)45(53)49(46(54)48(50)56)65-67(57,58)59/h5-6,8-9,11-12,14-15,17-18,20-21,41-42,45-50,53-56H,4,7,10,13,16,19,22-40H2,1-3H3,(H,60,61)(H2,57,58,59)/p-3/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-/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\C/C=C\CCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCC(C)C)COP(=O)([O-])O[C@H]1[C@H](O)[C@@H](O)[C@H](OP(=O)([O-])[O-])[C@@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C50H86O16P2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-29-32-35-38-44(52)64-42(39-62-43(51)37-34-31-28-26-23-24-27-30-33-36-41(2)3)40-63-68(60,61)66-50-47(55)45(53)49(46(54)48(50)56)65-67(57,58)59/h5-6,8-9,11-12,14-15,17-18,20-21,41-42,45-50,53-56H,4,7,10,13,16,19,22-40H2,1-3H3,(H,60,61)(H2,57,58,59)/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-/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]/[CH:20]=[CH:21]\[CH2:22][CH2:25][CH2:29][CH2:32][CH2:35][CH2:38][C:44](=[O:52])[O:64][C@H:42]([CH2:39][O:62][C:43]([CH2:37][CH2:34][CH2:31][CH2:28][CH2:26][CH2:23][CH2:24][CH2:27][CH2:30][CH2:33][CH2:36][CH:41]([CH3:2])[CH3:3])=[O:51])[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:49]([O:65][P:67]([OH:57])([OH:58])=[O:59])[C@@H:46]([OH:54])[C@H:48]1[OH:56] |
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