| Properties | Image |
|---|
| MNX_ID | MNXM184190 |
 |
| reference | slm:000471098 |
| formula | C46H77O13P2 |
| global charge | -3 |
| mol weight | 900.057 |
| InChIKey | QYNZUSJZPWINIC-WREPRWCBSA-K |
| InChI | InChI=1S/C46H80O13P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-45(48)55-41-44(42-58-61(53,54)57-40-43(47)39-56-60(50,51)52)59-46(49)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-23,43-44,47H,3-5,7,9-10,15-16,20,24-42H2,1-2H3,(H,53,54)(H2,50,51,52)/p-3/b8-6-,13-11-,14-12-,19-17-,22-21-,23-18-/t43-,44+/m0/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCC/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/C46H80O13P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-45(48)55-41-44(42-58-61(53,54)57-40-43(47)39-56-60(50,51)52)59-46(49)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-23,43-44,47H,3-5,7,9-10,15-16,20,24-42H2,1-2H3,(H,53,54)(H2,50,51,52)/b8-6-,13-11-,14-12-,19-17-,22-21-,23-18-/t43-,44+/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]\[CH2:20]/[CH:21]=[CH:22]\[CH2:24][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][C:45](=[O:48])[O:55][CH2:41][C@H:44]([CH2:42][O:58][P:61]([OH:53])(=[O:54])[O:57][CH2:40][C@H:43]([CH2:39][O:56][P:60]([OH:50])([OH:51])=[O:52])[OH:47])[O:59][C:46]([CH2:38][CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][CH2:26]/[CH:23]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10]/[CH:8]=[CH:6]\[CH2:4][CH3:2])=[O:49] |
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