| Properties | Image |
|---|
| MNX_ID | MNXM358047 |
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| reference | slm:000456951 |
| formula | C52H89O16P2 |
| global charge | -3 |
| mol weight | 1032.216 |
| InChIKey | IHEIDHRHJNOZDZ-KKBRLGTPSA-K |
| InChI | InChI=1S/C52H92O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(54)66-44(43-65-70(62,63)68-52-49(57)47(55)48(56)51(50(52)58)67-69(59,60)61)42-64-45(53)40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,23,25,29,31,44,47-52,55-58H,3-4,6,8-10,12,14-16,18,20-22,24,26-28,30,32-43H2,1-2H3,(H,62,63)(H2,59,60,61)/p-3/b7-5-,13-11-,19-17-,25-23-,31-29-/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\CCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCC)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 |
MNX internals
| InChI (mnx) | InChI=1/C52H92O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(54)66-44(43-65-70(62,63)68-52-49(57)47(55)48(56)51(50(52)58)67-69(59,60)61)42-64-45(53)40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,23,25,29,31,44,47-52,55-58H,3-4,6,8-10,12,14-16,18,20-22,24,26-28,30,32-43H2,1-2H3,(H,62,63)(H2,59,60,61)/b7-5-,13-11-,19-17-,25-23-,31-29-/t44-,47+,48+,49-,50-,51-,52+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3]/[CH:5]=[CH:7]\[CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:19]\[CH2:21]/[CH:23]=[CH:25]\[CH2:27]/[CH:29]=[CH:31]\[CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][C:46](=[O:54])[O:66][C@H:44]([CH2:42][O:64][C:45]([CH2:40][CH2:38][CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:22][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:53])[CH2:43][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:48]([OH:56])[C@@H:51]([O:67][P:69]([OH:59])([OH:60])=[O:61])[C@H:50]1[OH:58] |
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