| Properties | Image |
|---|
| MNX_ID | MNXM182419 |
 |
| reference | slm:000445463 |
| formula | C46H80O19P3 |
| global charge | -5 |
| mol weight | 1030.049 |
| InChIKey | QAGBJTNYZBEAPM-ZBYWUBENSA-I |
| InChI | InChI=1S/C46H85O19P3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24-27-30-33-39(47)60-35-38(62-40(48)34-31-28-25-22-19-20-23-26-29-32-37(2)3)36-61-68(58,59)65-46-42(50)44(63-66(52,53)54)41(49)45(43(46)51)64-67(55,56)57/h8-9,11-12,14-15,37-38,41-46,49-51H,4-7,10,13,16-36H2,1-3H3,(H,58,59)(H2,52,53,54)(H2,55,56,57)/p-5/b9-8-,12-11-,15-14-/t38-,41-,42-,43-,44-,45+,46-/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](OP(=O)([O-])[O-])[C@@H](O)[C@H](OP(=O)([O-])[O-])[C@H]1O)OC(=O)CCCCCCCCCCCC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C46H85O19P3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24-27-30-33-39(47)60-35-38(62-40(48)34-31-28-25-22-19-20-23-26-29-32-37(2)3)36-61-68(58,59)65-46-42(50)44(63-66(52,53)54)41(49)45(43(46)51)64-67(55,56)57/h8-9,11-12,14-15,37-38,41-46,49-51H,4-7,10,13,16-36H2,1-3H3,(H,58,59)(H2,52,53,54)(H2,55,56,57)/b9-8-,12-11-,15-14-/t38-,41-,42-,43-,44-,45+,46-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:5][CH2:6][CH2:7]/[CH:8]=[CH:9]\[CH2:10]/[CH:11]=[CH:12]\[CH2:13]/[CH:14]=[CH:15]\[CH2:16][CH2:17][CH2:18][CH2:21][CH2:24][CH2:27][CH2:30][CH2:33][C:39](=[O:47])[O:60][CH2:35][C@H:38]([CH2:36][O:61][P:68]([OH:58])(=[O:59])[O:65][C@@H:46]1[C@H:42]([OH:50])[C@H:44]([O:63][P:66]([OH:52])([OH:53])=[O:54])[C@@H:41]([OH:49])[C@H:45]([O:64][P:67]([OH:55])([OH:56])=[O:57])[C@H:43]1[OH:51])[O:62][C:40]([CH2:34][CH2:31][CH2:28][CH2:25][CH2:22][CH2:19][CH2:20][CH2:23][CH2:26][CH2:29][CH2:32][CH:37]([CH3:2])[CH3:3])=[O:48] |
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