| Properties | Image |
|---|
| MNX_ID | MNXM336424 |
 |
| reference | slm:000449905 |
| formula | C59H100O19P3 |
| global charge | -5 |
| mol weight | 1206.352 |
| InChIKey | BYXUSZCTULIBOG-PIEZQFGSSA-I |
| InChI | InChI=1S/C59H105O19P3/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-38-40-42-44-46-48-53(61)75-51(49-73-52(60)47-45-43-41-39-37-14-12-10-8-6-4-2)50-74-81(71,72)78-59-55(63)57(76-79(65,66)67)54(62)58(56(59)64)77-80(68,69)70/h5,7,10-13,16-17,19-20,22-23,51,54-59,62-64H,3-4,6,8-9,14-15,18,21,24-50H2,1-2H3,(H,71,72)(H2,65,66,67)(H2,68,69,70)/p-5/b7-5-,12-10-,13-11-,17-16-,20-19-,23-22-/t51-,54-,55-,56-,57-,58+,59-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCC)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 |
MNX internals
| InChI (mnx) | InChI=1/C59H105O19P3/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-38-40-42-44-46-48-53(61)75-51(49-73-52(60)47-45-43-41-39-37-14-12-10-8-6-4-2)50-74-81(71,72)78-59-55(63)57(76-79(65,66)67)54(62)58(56(59)64)77-80(68,69)70/h5,7,10-13,16-17,19-20,22-23,51,54-59,62-64H,3-4,6,8-9,14-15,18,21,24-50H2,1-2H3,(H,71,72)(H2,65,66,67)(H2,68,69,70)/b7-5-,12-10-,13-11-,17-16-,20-19-,23-22-/t51-,54-,55-,56-,57-,58+,59-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3]/[CH:5]=[CH:7]\[CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:16]=[CH:17]\[CH2:18]/[CH:19]=[CH:20]\[CH2:21]/[CH:22]=[CH:23]\[CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][C:53](=[O:61])[O:75][C@H:51]([CH2:49][O:73][C:52]([CH2:47][CH2:45][CH2:43][CH2:41][CH2:39][CH2:37][CH2:14]/[CH:12]=[CH:10]\[CH2:8][CH2:6][CH2:4][CH3:2])=[O:60])[CH2:50][O:74][P:81]([OH:71])(=[O:72])[O:78][C@@H:59]1[C@H:55]([OH:63])[C@H:57]([O:76][P:79]([OH:65])([OH:66])=[O:67])[C@@H:54]([OH:62])[C@H:58]([O:77][P:80]([OH:68])([OH:69])=[O:70])[C@H:56]1[OH:64] |
|