| Properties | Image |
|---|
| MNX_ID | MNXM5269 |
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| reference | biggM:pgp181 |
| formula | C42H78O13P2 |
| global charge | -2 |
| mol weight | 853.021 |
| InChIKey | JUWFWNRVCXDDFB-UHFFFAOYSA-L |
| 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/h13-16,39-40,43H,3-12,17-38H2,1-2H3,(H,49,50)(H2,46,47,48)/p-2 |
| SMILES | CCCCCCC=CCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(O)COP(=O)([O-])O)OC(=O)CCCCCCCCCC=CCCCCCC |
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/h13-16,39-40,43H,3-12,17-38H2,1-2H3,(H,49,50)(H2,46,47,48)/b15-13?,16-14?/t39?,40? |
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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][CH:40]([CH2:38][O:54][P:57]([OH:49])(=[O:50])[O:53][CH2:36][CH: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][CH2:26][CH2:24][CH2:22][CH2:20][CH2:18][CH:16]=[CH:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:45] |
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