| Properties | Image |
|---|
| MNX_ID | MNXM216655 |
 |
| reference | slm:000433665 |
| formula | C41H67O16P2 |
| global charge | -3 |
| mol weight | 877.919 |
| InChIKey | ACAIFRXBAVPAIG-FAAXWWSRSA-K |
| InChI | InChI=1S/C41H70O16P2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-30-34(42)53-31-33(55-35(43)29-4-2)32-54-59(51,52)57-41-38(46)36(44)37(45)40(39(41)47)56-58(48,49)50/h5-6,8-9,11-12,14-15,17-18,33,36-41,44-47H,3-4,7,10,13,16,19-32H2,1-2H3,(H,51,52)(H2,48,49,50)/p-3/b6-5-,9-8-,12-11-,15-14-,18-17-/t33-,36-,37-,38-,39-,40+,41-/m1/s1 |
| SMILES | CC/C=C\C/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)CCC |
MNX internals
| InChI (mnx) | InChI=1/C41H70O16P2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-30-34(42)53-31-33(55-35(43)29-4-2)32-54-59(51,52)57-41-38(46)36(44)37(45)40(39(41)47)56-58(48,49)50/h5-6,8-9,11-12,14-15,17-18,33,36-41,44-47H,3-4,7,10,13,16,19-32H2,1-2H3,(H,51,52)(H2,48,49,50)/b6-5-,9-8-,12-11-,15-14-,18-17-/t33-,36-,37-,38-,39-,40+,41-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3]/[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][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:30][C:34](=[O:42])[O:53][CH2:31][C@H:33]([CH2:32][O:54][P:59]([OH:51])(=[O:52])[O:57][C@@H:41]1[C@H:38]([OH:46])[C@H:36]([OH:44])[C@@H:37]([OH:45])[C@H:40]([O:56][P:58]([OH:48])([OH:49])=[O:50])[C@H:39]1[OH:47])[O:55][C:35]([CH2:29][CH2:4][CH3:2])=[O:43] |
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