| Properties | Image |
|---|
| MNX_ID | MNXM184886 |
 |
| reference | slm:000464712 |
| formula | C48H84O19P3 |
| global charge | -5 |
| mol weight | 1058.103 |
| InChIKey | YDNIVYXYDQPBQY-HPYICDPGSA-I |
| InChI | InChI=1S/C48H89O19P3/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-25-26-28-30-32-34-36-41(49)62-38-40(64-42(50)37-35-33-31-29-27-24-18-16-14-12-10-8-6-4-2)39-63-70(60,61)67-46-43(51)44(52)47(65-68(54,55)56)48(45(46)53)66-69(57,58)59/h11,13,17,19,21-22,40,43-48,51-53H,3-10,12,14-16,18,20,23-39H2,1-2H3,(H,60,61)(H2,54,55,56)(H2,57,58,59)/p-5/b13-11-,19-17-,22-21-/t40-,43-,44+,45+,46-,47-,48-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)OC[C@H](COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](OP(=O)([O-])[O-])[C@H](OP(=O)([O-])[O-])[C@H]1O)OC(=O)CCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C48H89O19P3/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-25-26-28-30-32-34-36-41(49)62-38-40(64-42(50)37-35-33-31-29-27-24-18-16-14-12-10-8-6-4-2)39-63-70(60,61)67-46-43(51)44(52)47(65-68(54,55)56)48(45(46)53)66-69(57,58)59/h11,13,17,19,21-22,40,43-48,51-53H,3-10,12,14-16,18,20,23-39H2,1-2H3,(H,60,61)(H2,54,55,56)(H2,57,58,59)/b13-11-,19-17-,22-21-/t40-,43-,44+,45+,46-,47-,48-/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:17]=[CH:19]\[CH2:20]/[CH:21]=[CH:22]\[CH2:23][CH2:25][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][C:41](=[O:49])[O:62][CH2:38][C@H:40]([CH2:39][O:63][P:70]([OH:60])(=[O:61])[O:67][C@@H:46]1[C@H:43]([OH:51])[C@H:44]([OH:52])[C@@H:47]([O:65][P:68]([OH:54])([OH:55])=[O:56])[C@H:48]([O:66][P:69]([OH:57])([OH:58])=[O:59])[C@H:45]1[OH:53])[O:64][C:42]([CH2:37][CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:24][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:50] |
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