| Properties | Image |
|---|
| MNX_ID | MNXM191199 |
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| reference | slm:000471167 |
| formula | C42H77O13P2 |
| global charge | -3 |
| mol weight | 852.013 |
| InChIKey | UPFQMJCFMRPVKB-MWJRJNBISA-K |
| InChI | InChI=1S/C42H80O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(44)51-37-40(38-54-57(49,50)53-36-39(43)35-52-56(46,47)48)55-42(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13,15,24,26,39-40,43H,3-12,14,16-23,25,27-38H2,1-2H3,(H,49,50)(H2,46,47,48)/p-3/b15-13+,26-24-/t39-,40+/m0/s1 |
| SMILES | CCCCCC/C=C/CCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@@H](O)COP(=O)([O-])[O-])OC(=O)CCCC/C=C\CCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C42H80O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(44)51-37-40(38-54-57(49,50)53-36-39(43)35-52-56(46,47)48)55-42(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13,15,24,26,39-40,43H,3-12,14,16-23,25,27-38H2,1-2H3,(H,49,50)(H2,46,47,48)/b15-13+,26-24-/t39-,40+/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11]/[CH:13]=[CH:15]/[CH2:17][CH2:19][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][C:41](=[O:44])[O:51][CH2:37][C@H:40]([CH2:38][O:54][P:57]([OH:49])(=[O:50])[O:53][CH2:36][C@H:39]([CH2:35][O:52][P:56]([OH:46])([OH:47])=[O:48])[OH:43])[O:55][C:42]([CH2:34][CH2:32][CH2:30][CH2:28]/[CH:26]=[CH:24]\[CH2:22][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:45] |
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