| Properties | Image |
|---|
| MNX_ID | MNXM181749 |
 |
| reference | slm:000445441 |
| formula | C56H96O19P3 |
| global charge | -5 |
| mol weight | 1166.287 |
| InChIKey | GKBKLKBHMXVWPG-VZQNJJDHSA-I |
| InChI | InChI=1S/C56H101O19P3/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-31-32-34-36-38-40-42-44-49(57)70-46-48(72-50(58)45-43-41-39-37-35-33-30-20-18-16-14-12-10-8-6-4-2)47-71-78(68,69)75-56-52(60)54(73-76(62,63)64)51(59)55(53(56)61)74-77(65,66)67/h11,13,17,19,22-23,25-26,28-29,48,51-56,59-61H,3-10,12,14-16,18,20-21,24,27,30-47H2,1-2H3,(H,68,69)(H2,62,63,64)(H2,65,66,67)/p-5/b13-11-,19-17-,23-22-,26-25-,29-28-/t48-,51-,52-,53-,54-,55+,56-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/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)CCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C56H101O19P3/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-31-32-34-36-38-40-42-44-49(57)70-46-48(72-50(58)45-43-41-39-37-35-33-30-20-18-16-14-12-10-8-6-4-2)47-71-78(68,69)75-56-52(60)54(73-76(62,63)64)51(59)55(53(56)61)74-77(65,66)67/h11,13,17,19,22-23,25-26,28-29,48,51-56,59-61H,3-10,12,14-16,18,20-21,24,27,30-47H2,1-2H3,(H,68,69)(H2,62,63,64)(H2,65,66,67)/b13-11-,19-17-,23-22-,26-25-,29-28-/t48-,51-,52-,53-,54-,55+,56-/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]\[CH2:21]/[CH:22]=[CH:23]\[CH2:24]/[CH:25]=[CH:26]\[CH2:27]/[CH:28]=[CH:29]\[CH2:31][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][C:49](=[O:57])[O:70][CH2:46][C@H:48]([CH2:47][O:71][P:78]([OH:68])(=[O:69])[O:75][C@@H:56]1[C@H:52]([OH:60])[C@H:54]([O:73][P:76]([OH:62])([OH:63])=[O:64])[C@@H:51]([OH:59])[C@H:55]([O:74][P:77]([OH:65])([OH:66])=[O:67])[C@H:53]1[OH:61])[O:72][C:50]([CH2:45][CH2:43][CH2:41][CH2:39][CH2:37][CH2:35][CH2:33][CH2:30][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:58] |
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