| Properties | Image |
|---|
| MNX_ID | MNXM182445 |
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| reference | slm:000014392 |
| formula | C59H100O13P |
| global charge | -1 |
| mol weight | 1048.41 |
| InChIKey | IYBWIIFCJNVPQG-SETLFSDTSA-M |
| InChI | InChI=1S/C59H101O13P/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-30-32-34-36-38-40-42-44-46-48-53(61)71-51(50-70-73(67,68)72-59-57(65)55(63)54(62)56(64)58(59)66)49-69-52(60)47-45-43-41-39-37-35-33-31-29-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-24,26-27,29,31,51,54-59,62-66H,3-10,15-16,21-22,25,28,30,32-50H2,1-2H3,(H,67,68)/p-1/b13-11-,14-12-,19-17-,20-18-,24-23-,27-26-,31-29-/t51-,54-,55-,56+,57-,58-,59-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCC/C=C\C/C=C\C/C=C\CCCCC)COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C59H101O13P/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-30-32-34-36-38-40-42-44-46-48-53(61)71-51(50-70-73(67,68)72-59-57(65)55(63)54(62)56(64)58(59)66)49-69-52(60)47-45-43-41-39-37-35-33-31-29-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-24,26-27,29,31,51,54-59,62-66H,3-10,15-16,21-22,25,28,30,32-50H2,1-2H3,(H,67,68)/b13-11-,14-12-,19-17-,20-18-,24-23-,27-26-,31-29-/t51-,54-,55-,56+,57-,58-,59-/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:19]\[CH2:21]/[CH:23]=[CH:24]\[CH2:25]/[CH:26]=[CH:27]\[CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][C:53](=[O:61])[O:71][C@H:51]([CH2:49][O:69][C:52]([CH2:47][CH2:45][CH2:43][CH2:41][CH2:39][CH2:37][CH2:35][CH2:33]/[CH:31]=[CH:29]\[CH2:22]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:60])[CH2:50][O:70][P:73]([OH:67])(=[O:68])[O:72][C@@H:59]1[C@H:57]([OH:65])[C@H:55]([OH:63])[C@@H:54]([OH:62])[C@H:56]([OH:64])[C@H:58]1[OH:66] |
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