| Properties | Image |
|---|
| MNX_ID | MNXM217499 |
 |
| reference | slm:000465710 |
| formula | C57H92O19P3 |
| global charge | -5 |
| mol weight | 1174.266 |
| InChIKey | MCUYEENNBTVOOE-VJSANILPSA-I |
| InChI | InChI=1S/C57H97O19P3/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-30-31-33-35-37-39-41-43-45-50(58)71-47-49(73-51(59)46-44-42-40-38-36-34-32-29-20-18-16-14-12-10-8-6-4-2)48-72-79(69,70)76-55-52(60)53(61)56(74-77(63,64)65)57(54(55)62)75-78(66,67)68/h11-14,17-20,22-23,25-26,32,34,38,40,49,52-57,60-62H,3-10,15-16,21,24,27-31,33,35-37,39,41-48H2,1-2H3,(H,69,70)(H2,63,64,65)(H2,66,67,68)/p-5/b13-11-,14-12-,19-17-,20-18-,23-22-,26-25-,34-32-,40-38-/t49-,52-,53+,54+,55-,56-,57-/m1/s1 |
| SMILES | CCCCC/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](O)[C@@H](OP(=O)([O-])[O-])[C@H](OP(=O)([O-])[O-])[C@H]1O)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C57H97O19P3/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-30-31-33-35-37-39-41-43-45-50(58)71-47-49(73-51(59)46-44-42-40-38-36-34-32-29-20-18-16-14-12-10-8-6-4-2)48-72-79(69,70)76-55-52(60)53(61)56(74-77(63,64)65)57(54(55)62)75-78(66,67)68/h11-14,17-20,22-23,25-26,32,34,38,40,49,52-57,60-62H,3-10,15-16,21,24,27-31,33,35-37,39,41-48H2,1-2H3,(H,69,70)(H2,63,64,65)(H2,66,67,68)/b13-11-,14-12-,19-17-,20-18-,23-22-,26-25-,34-32-,40-38-/t49-,52-,53+,54+,55-,56-,57-/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][CH2:28][CH2:30][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][C:50](=[O:58])[O:71][CH2:47][C@H:49]([CH2:48][O:72][P:79]([OH:69])(=[O:70])[O:76][C@@H:55]1[C@H:52]([OH:60])[C@H:53]([OH:61])[C@@H:56]([O:74][P:77]([OH:63])([OH:64])=[O:65])[C@H:57]([O:75][P:78]([OH:66])([OH:67])=[O:68])[C@H:54]1[OH:62])[O:73][C:51]([CH2:46][CH2:44][CH2:42]/[CH:40]=[CH:38]\[CH2:36]/[CH:34]=[CH:32]\[CH2:29]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:59] |
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