| Properties | Image |
|---|
| MNX_ID | MNXM216723 |
 |
| reference | slm:000465659 |
| formula | C58H100O19P3 |
| global charge | -5 |
| mol weight | 1194.341 |
| InChIKey | GYJZBWJGWWQCNG-UVDOVSPHSA-I |
| InChI | InChI=1S/C58H105O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-31-32-34-36-38-40-42-44-46-51(59)72-48-50(74-52(60)47-45-43-41-39-37-35-33-30-22-20-18-16-14-12-10-8-6-4-2)49-73-80(70,71)77-56-53(61)54(62)57(75-78(64,65)66)58(55(56)63)76-79(67,68)69/h5,7,11,13,17,19,23-24,26-27,50,53-58,61-63H,3-4,6,8-10,12,14-16,18,20-22,25,28-49H2,1-2H3,(H,70,71)(H2,64,65,66)(H2,67,68,69)/p-5/b7-5-,13-11-,19-17-,24-23-,27-26-/t50-,53-,54+,55+,56-,57-,58-/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](O)[C@@H](OP(=O)([O-])[O-])[C@H](OP(=O)([O-])[O-])[C@H]1O)OC(=O)CCCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C58H105O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-31-32-34-36-38-40-42-44-46-51(59)72-48-50(74-52(60)47-45-43-41-39-37-35-33-30-22-20-18-16-14-12-10-8-6-4-2)49-73-80(70,71)77-56-53(61)54(62)57(75-78(64,65)66)58(55(56)63)76-79(67,68)69/h5,7,11,13,17,19,23-24,26-27,50,53-58,61-63H,3-4,6,8-10,12,14-16,18,20-22,25,28-49H2,1-2H3,(H,70,71)(H2,64,65,66)(H2,67,68,69)/b7-5-,13-11-,19-17-,24-23-,27-26-/t50-,53-,54+,55+,56-,57-,58-/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:24]\[CH2:25]/[CH:26]=[CH:27]\[CH2:28][CH2:29][CH2:31][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][C:51](=[O:59])[O:72][CH2:48][C@H:50]([CH2:49][O:73][P:80]([OH:70])(=[O:71])[O:77][C@@H:56]1[C@H:53]([OH:61])[C@H:54]([OH:62])[C@@H:57]([O:75][P:78]([OH:64])([OH:65])=[O:66])[C@H:58]([O:76][P:79]([OH:67])([OH:68])=[O:69])[C@H:55]1[OH:63])[O:74][C:52]([CH2:47][CH2:45][CH2:43][CH2:41][CH2:39][CH2:37][CH2:35][CH2:33][CH2:30][CH2:22][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:60] |
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