| Properties | Image |
|---|
| MNX_ID | MNXM193451 |
 |
| reference | slm:000458504 |
| formula | C52H89O16P2 |
| global charge | -3 |
| mol weight | 1032.216 |
| InChIKey | PDBAPMUWNDLOAU-ROFBEENZSA-K |
| InChI | InChI=1S/C52H92O16P2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-27-30-33-36-39-45(53)64-41-44(66-46(54)40-37-34-31-28-25-22-23-26-29-32-35-38-43(2)3)42-65-70(62,63)68-52-49(57)47(55)51(48(56)50(52)58)67-69(59,60)61/h5-6,8-9,11-12,14-15,17-18,43-44,47-52,55-58H,4,7,10,13,16,19-42H2,1-3H3,(H,62,63)(H2,59,60,61)/p-3/b6-5-,9-8-,12-11-,15-14-,18-17-/t44-,47-,48+,49-,50-,51+,52+/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](O)[C@H](OP(=O)([O-])[O-])[C@@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C52H92O16P2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-27-30-33-36-39-45(53)64-41-44(66-46(54)40-37-34-31-28-25-22-23-26-29-32-35-38-43(2)3)42-65-70(62,63)68-52-49(57)47(55)51(48(56)50(52)58)67-69(59,60)61/h5-6,8-9,11-12,14-15,17-18,43-44,47-52,55-58H,4,7,10,13,16,19-42H2,1-3H3,(H,62,63)(H2,59,60,61)/b6-5-,9-8-,12-11-,15-14-,18-17-/t44-,47-,48+,49-,50-,51+,52+/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][CH2:24][CH2:27][CH2:30][CH2:33][CH2:36][CH2:39][C:45](=[O:53])[O:64][CH2:41][C@H:44]([CH2:42][O:65][P:70]([OH:62])(=[O:63])[O:68][C@H:52]1[C@H:49]([OH:57])[C@@H:47]([OH:55])[C@H:51]([O:67][P:69]([OH:59])([OH:60])=[O:61])[C@@H:48]([OH:56])[C@H:50]1[OH:58])[O:66][C:46]([CH2:40][CH2:37][CH2:34][CH2:31][CH2:28][CH2:25][CH2:22][CH2:23][CH2:26][CH2:29][CH2:32][CH2:35][CH2:38][CH:43]([CH3:2])[CH3:3])=[O:54] |
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