| Properties | Image |
|---|
| MNX_ID | MNXM217566 |
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| reference | slm:000427326 |
| formula | C53H90O19P3 |
| global charge | -5 |
| mol weight | 1124.206 |
| InChIKey | TUIGHPMOQGVWHU-PSQNZFTGSA-I |
| InChI | InChI=1S/C53H95O19P3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-30-31-33-35-37-39-41-46(54)67-43-45(69-47(55)42-40-38-36-34-32-29-16-14-12-10-8-6-4-2)44-68-75(65,66)72-51-48(56)49(57)52(70-73(59,60)61)53(50(51)58)71-74(62,63)64/h11,13,17-18,20-21,23-24,32,34,45,48-53,56-58H,3-10,12,14-16,19,22,25-31,33,35-44H2,1-2H3,(H,65,66)(H2,59,60,61)(H2,62,63,64)/p-5/b13-11-,18-17-,21-20-,24-23-,34-32-/t45-,48-,49-,50+,51+,52+,53+/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCC(=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\CCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C53H95O19P3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-30-31-33-35-37-39-41-46(54)67-43-45(69-47(55)42-40-38-36-34-32-29-16-14-12-10-8-6-4-2)44-68-75(65,66)72-51-48(56)49(57)52(70-73(59,60)61)53(50(51)58)71-74(62,63)64/h11,13,17-18,20-21,23-24,32,34,45,48-53,56-58H,3-10,12,14-16,19,22,25-31,33,35-44H2,1-2H3,(H,65,66)(H2,59,60,61)(H2,62,63,64)/b13-11-,18-17-,21-20-,24-23-,34-32-/t45-,48-,49-,50+,51+,52+,53+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:18]\[CH2:19]/[CH:20]=[CH:21]\[CH2:22]/[CH:23]=[CH:24]\[CH2:25][CH2:26][CH2:27][CH2:28][CH2:30][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][C:46](=[O:54])[O:67][CH2:43][C@H:45]([CH2:44][O:68][P:75]([OH:65])(=[O:66])[O:72][C@H:51]1[C@H:48]([OH:56])[C@@H:49]([OH:57])[C@H:52]([O:70][P:73]([OH:59])([OH:60])=[O:61])[C@@H:53]([O:71][P:74]([OH:62])([OH:63])=[O:64])[C@H:50]1[OH:58])[O:69][C:47]([CH2:42][CH2:40][CH2:38][CH2:36]/[CH:34]=[CH:32]\[CH2:29][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:55] |
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