| Properties | Image |
|---|
| MNX_ID | MNXM211346 |
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| reference | slm:000471869 |
| formula | C58H91O13P2 |
| global charge | -3 |
| mol weight | 1058.301 |
| InChIKey | RGUJMYHFGTZHCA-NLEHKCEASA-K |
| InChI | InChI=1S/C58H94O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-32-33-35-37-39-41-43-45-47-49-57(60)67-53-56(54-70-73(65,66)69-52-55(59)51-68-72(62,63)64)71-58(61)50-48-46-44-42-40-38-36-34-31-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,23-24,26-27,29-31,34,38,40,44,46,55-56,59H,3-5,7,9-10,15-16,21-22,25,28,32-33,35-37,39,41-43,45,47-54H2,1-2H3,(H,65,66)(H2,62,63,64)/p-3/b8-6-,13-11-,14-12-,19-17-,20-18-,24-23-,27-26-,30-29-,34-31-,40-38-,46-44-/t55-,56+/m0/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COP(=O)([O-])OC[C@@H](O)COP(=O)([O-])[O-] |
MNX internals
| InChI (mnx) | InChI=1/C58H94O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-32-33-35-37-39-41-43-45-47-49-57(60)67-53-56(54-70-73(65,66)69-52-55(59)51-68-72(62,63)64)71-58(61)50-48-46-44-42-40-38-36-34-31-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,23-24,26-27,29-31,34,38,40,44,46,55-56,59H,3-5,7,9-10,15-16,21-22,25,28,32-33,35-37,39,41-43,45,47-54H2,1-2H3,(H,65,66)(H2,62,63,64)/b8-6-,13-11-,14-12-,19-17-,20-18-,24-23-,27-26-,30-29-,34-31-,40-38-,46-44-/t55-,56+/m0/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:19]\[CH2:21]/[CH:23]=[CH:24]\[CH2:25]/[CH:26]=[CH:27]\[CH2:28]/[CH:29]=[CH:30]\[CH2:32][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][CH2:49][C:57](=[O:60])[O:67][CH2:53][C@H:56]([CH2:54][O:70][P:73]([OH:65])(=[O:66])[O:69][CH2:52][C@H:55]([CH2:51][O:68][P:72]([OH:62])([OH:63])=[O:64])[OH:59])[O:71][C:58]([CH2:50][CH2:48]/[CH:46]=[CH:44]\[CH2:42]/[CH:40]=[CH:38]\[CH2:36]/[CH:34]=[CH:31]\[CH2:22]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10]/[CH:8]=[CH:6]\[CH2:4][CH3:2])=[O:61] |
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