| Properties | Image |
|---|
| MNX_ID | MNXM231689 |
 |
| reference | slm:000427718 |
| formula | C63H100O19P3 |
| global charge | -5 |
| mol weight | 1254.396 |
| InChIKey | ROTAUARVNYTCBR-BEJGILNDSA-I |
| InChI | InChI=1S/C63H105O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-27-28-29-30-32-33-35-37-39-41-43-45-47-49-51-56(64)77-53-55(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)79-57(65)52-50-48-46-44-42-40-38-36-34-31-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23-25,27-28,31,36,38,42,44,55,58-63,66-68H,3-4,6,8-10,15-16,21-22,26,29-30,32-35,37,39-41,43,45-54H2,1-2H3,(H,75,76)(H2,69,70,71)(H2,72,73,74)/p-5/b7-5-,13-11-,14-12-,19-17-,20-18-,25-23-,28-27-,31-24-,38-36-,44-42-/t55-,58-,59-,60+,61+,62+,63+/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCC(=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)CCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C63H105O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-27-28-29-30-32-33-35-37-39-41-43-45-47-49-51-56(64)77-53-55(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)79-57(65)52-50-48-46-44-42-40-38-36-34-31-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23-25,27-28,31,36,38,42,44,55,58-63,66-68H,3-4,6,8-10,15-16,21-22,26,29-30,32-35,37,39-41,43,45-54H2,1-2H3,(H,75,76)(H2,69,70,71)(H2,72,73,74)/b7-5-,13-11-,14-12-,19-17-,20-18-,25-23-,28-27-,31-24-,38-36-,44-42-/t55-,58-,59-,60+,61+,62+,63+/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:25]\[CH2:26]/[CH:27]=[CH:28]\[CH2:29][CH2:30][CH2:32][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][CH2:49][CH2:51][C:56](=[O:64])[O:77][CH2:53][C@H:55]([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])[O:79][C:57]([CH2:52][CH2:50][CH2:48][CH2:46]/[CH:44]=[CH:42]\[CH2:40]/[CH:38]=[CH:36]\[CH2:34]/[CH:31]=[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:65] |
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