| Properties | Image |
|---|
| MNX_ID | MNXM333053 |
 |
| reference | slm:000491686 |
| formula | C63H108O19P3 |
| global charge | -5 |
| mol weight | 1262.46 |
| InChIKey | YNBMREYARVIMNT-IBFCJOAFSA-I |
| InChI | InChI=1S/C63H113O19P3/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-38-40-42-44-46-48-50-52-57(65)79-55(53-77-56(64)51-49-47-45-43-41-39-37-18-16-14-12-10-8-6-4-2)54-78-85(75,76)82-61-58(66)59(67)62(80-83(69,70)71)63(60(61)68)81-84(72,73)74/h11,13,17-19,21-22,24-25,27-28,37,55,58-63,66-68H,3-10,12,14-16,20,23,26,29-36,38-54H2,1-2H3,(H,75,76)(H2,69,70,71)(H2,72,73,74)/p-5/b13-11-,19-17-,22-21-,25-24-,28-27-,37-18-/t55-,58-,59-,60+,61+,62+,63+/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)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/C63H113O19P3/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-38-40-42-44-46-48-50-52-57(65)79-55(53-77-56(64)51-49-47-45-43-41-39-37-18-16-14-12-10-8-6-4-2)54-78-85(75,76)82-61-58(66)59(67)62(80-83(69,70)71)63(60(61)68)81-84(72,73)74/h11,13,17-19,21-22,24-25,27-28,37,55,58-63,66-68H,3-10,12,14-16,20,23,26,29-36,38-54H2,1-2H3,(H,75,76)(H2,69,70,71)(H2,72,73,74)/b13-11-,19-17-,22-21-,25-24-,28-27-,37-18-/t55-,58-,59-,60+,61+,62+,63+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:19]\[CH2:20]/[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][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][CH2:50][CH2:52][C:57](=[O:65])[O:79][C@H:55]([CH2:53][O:77][C:56]([CH2:51][CH2:49][CH2:47][CH2:45][CH2:43][CH2:41][CH2:39]/[CH:37]=[CH:18]\[CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:64])[CH2:54][O:78][P:85]([OH:75])(=[O:76])[O:82][C@H:61]1[C@H:58]([OH:66])[C@@H:59]([OH:67])[C@H:62]([O:80][P:83]([OH:69])([OH:70])=[O:71])[C@@H:63]([O:81][P:84]([OH:72])([OH:73])=[O:74])[C@H:60]1[OH:68] |
|