| Properties | Image |
|---|
| MNX_ID | MNXM193695 |
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| reference | slm:000037004 |
| formula | C54H84O10P |
| global charge | -1 |
| mol weight | 924.23 |
| InChIKey | XAZSVDBFSUYVLQ-YCDDPFBASA-M |
| InChI | InChI=1S/C54H85O10P/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-28-29-31-33-35-37-39-41-43-45-53(57)61-49-52(50-63-65(59,60)62-48-51(56)47-55)64-54(58)46-44-42-40-38-36-34-32-30-27-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-24,26-28,30,34,36,40,42,51-52,55-56H,3-4,9-10,15-16,21-22,25,29,31-33,35,37-39,41,43-50H2,1-2H3,(H,59,60)/p-1/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,24-23-,28-26-,30-27-,36-34-,42-40-/t51-,52+/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)CCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COP(=O)([O-])OC[C@@H](O)CO |
MNX internals
| InChI (mnx) | InChI=1/C54H85O10P/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-28-29-31-33-35-37-39-41-43-45-53(57)61-49-52(50-63-65(59,60)62-48-51(56)47-55)64-54(58)46-44-42-40-38-36-34-32-30-27-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-24,26-28,30,34,36,40,42,51-52,55-56H,3-4,9-10,15-16,21-22,25,29,31-33,35,37-39,41,43-50H2,1-2H3,(H,59,60)/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,24-23-,28-26-,30-27-,36-34-,42-40-/t51-,52+/m0/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:24]\[CH2:25]/[CH:26]=[CH:28]\[CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][C:53](=[O:57])[O:61][CH2:49][C@H:52]([CH2:50][O:63][P:65]([OH:59])(=[O:60])[O:62][CH2:48][C@H:51]([CH2:47][OH:55])[OH:56])[O:64][C:54]([CH2:46][CH2:44]/[CH:42]=[CH:40]\[CH2:38]/[CH:36]=[CH:34]\[CH2:32]/[CH:30]=[CH:27]\[CH2:22]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10]/[CH:8]=[CH:6]\[CH2:4][CH3:2])=[O:58] |
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