| Properties | Image |
|---|
| MNX_ID | MNXM360827 |
 |
| reference | slm:000469810 |
| formula | C62H106O19P3 |
| global charge | -5 |
| mol weight | 1248.433 |
| InChIKey | XIGINFDGLHSEJE-KKRGOQPZSA-I |
| InChI | InChI=1S/C62H111O19P3/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-39-41-43-45-47-49-51-56(64)78-54(52-76-55(63)50-48-46-44-42-40-38-18-16-14-12-10-8-6-4-2)53-77-84(74,75)81-60-57(65)58(66)61(79-82(68,69)70)62(59(60)67)80-83(71,72)73/h5,7,11,13,17,19,21-22,24-25,27-28,54,57-62,65-67H,3-4,6,8-10,12,14-16,18,20,23,26,29-53H2,1-2H3,(H,74,75)(H2,68,69,70)(H2,71,72,73)/p-5/b7-5-,13-11-,19-17-,22-21-,25-24-,28-27-/t54-,57-,58+,59+,60-,61-,62-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCC)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 |
MNX internals
| InChI (mnx) | InChI=1/C62H111O19P3/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-39-41-43-45-47-49-51-56(64)78-54(52-76-55(63)50-48-46-44-42-40-38-18-16-14-12-10-8-6-4-2)53-77-84(74,75)81-60-57(65)58(66)61(79-82(68,69)70)62(59(60)67)80-83(71,72)73/h5,7,11,13,17,19,21-22,24-25,27-28,54,57-62,65-67H,3-4,6,8-10,12,14-16,18,20,23,26,29-53H2,1-2H3,(H,74,75)(H2,68,69,70)(H2,71,72,73)/b7-5-,13-11-,19-17-,22-21-,25-24-,28-27-/t54-,57-,58+,59+,60-,61-,62-/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]\[CH2:20]/[CH:21]=[CH:22]\[CH2:23]/[CH:24]=[CH:25]\[CH2:26]/[CH:27]=[CH:28]\[CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][CH2:49][CH2:51][C:56](=[O:64])[O:78][C@H:54]([CH2:52][O:76][C:55]([CH2:50][CH2:48][CH2:46][CH2:44][CH2:42][CH2:40][CH2:38][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:63])[CH2:53][O:77][P:84]([OH:74])(=[O:75])[O:81][C@@H:60]1[C@H:57]([OH:65])[C@H:58]([OH:66])[C@@H:61]([O:79][P:82]([OH:68])([OH:69])=[O:70])[C@H:62]([O:80][P:83]([OH:71])([OH:72])=[O:73])[C@H:59]1[OH:67] |
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