| Properties | Image |
|---|
| MNX_ID | MNXM316780 |
 |
| reference | slm:000449448 |
| formula | C59H94O19P3 |
| global charge | -5 |
| mol weight | 1200.304 |
| InChIKey | QBAVVSNYSSVASV-IQWCXPPESA-I |
| InChI | InChI=1S/C59H99O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-28-30-32-34-36-38-40-42-44-46-48-53(61)75-51(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)49-73-52(60)47-45-43-41-39-37-35-33-31-29-27-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-25,27-28,30-31,33-34,36,51,54-59,62-64H,3-10,15-16,21-22,26,29,32,35,37-50H2,1-2H3,(H,71,72)(H2,65,66,67)(H2,68,69,70)/p-5/b13-11-,14-12-,19-17-,20-18-,25-23-,27-24-,30-28-,33-31-,36-34-/t51-,54-,55-,56-,57-,58+,59-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)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/C59H99O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-28-30-32-34-36-38-40-42-44-46-48-53(61)75-51(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)49-73-52(60)47-45-43-41-39-37-35-33-31-29-27-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-25,27-28,30-31,33-34,36,51,54-59,62-64H,3-10,15-16,21-22,26,29,32,35,37-50H2,1-2H3,(H,71,72)(H2,65,66,67)(H2,68,69,70)/b13-11-,14-12-,19-17-,20-18-,25-23-,27-24-,30-28-,33-31-,36-34-/t51-,54-,55-,56-,57-,58+,59-/m1/s1 |
 |
| 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:23]=[CH:25]\[CH2:26]/[CH:28]=[CH:30]\[CH2:32]/[CH:34]=[CH: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][CH2:35]/[CH:33]=[CH:31]\[CH2:29]/[CH:27]=[CH:24]\[CH2:22]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10][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] |
|