| Properties | Image |
|---|
| MNX_ID | MNXM195424 |
 |
| reference | slm:000471435 |
| formula | C47H83O13P2 |
| global charge | -3 |
| mol weight | 918.116 |
| InChIKey | JZRMWIHRDOMIDJ-NHKDBCDFSA-K |
| InChI | InChI=1S/C47H86O13P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-29-30-32-34-36-38-46(49)56-42-45(43-59-62(54,55)58-41-44(48)40-57-61(51,52)53)60-47(50)39-37-35-33-31-28-16-14-12-10-8-6-4-2/h11,13,17-18,20-21,23-24,44-45,48H,3-10,12,14-16,19,22,25-43H2,1-2H3,(H,54,55)(H2,51,52,53)/p-3/b13-11-,18-17-,21-20-,24-23-/t44-,45+/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@@H](O)COP(=O)([O-])[O-])OC(=O)CCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C47H86O13P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-29-30-32-34-36-38-46(49)56-42-45(43-59-62(54,55)58-41-44(48)40-57-61(51,52)53)60-47(50)39-37-35-33-31-28-16-14-12-10-8-6-4-2/h11,13,17-18,20-21,23-24,44-45,48H,3-10,12,14-16,19,22,25-43H2,1-2H3,(H,54,55)(H2,51,52,53)/b13-11-,18-17-,21-20-,24-23-/t44-,45+/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:18]\[CH2:19]/[CH:20]=[CH:21]\[CH2:22]/[CH:23]=[CH:24]\[CH2:25][CH2:26][CH2:27][CH2:29][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][C:46](=[O:49])[O:56][CH2:42][C@H:45]([CH2:43][O:59][P:62]([OH:54])(=[O:55])[O:58][CH2:41][C@H:44]([CH2:40][O:57][P:61]([OH:51])([OH:52])=[O:53])[OH:48])[O:60][C:47]([CH2:39][CH2:37][CH2:35][CH2:33][CH2:31][CH2:28][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:50] |
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