| Properties | Image |
|---|
| MNX_ID | MNXM336037 |
 |
| reference | slm:000475487 |
| formula | C42H77O13P2 |
| global charge | -3 |
| mol weight | 852.013 |
| InChIKey | CPPHHWBONIWUGE-LVOWDAQASA-K |
| InChI | InChI=1S/C42H80O13P2/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-42(45)55-40(38-54-57(49,50)53-36-39(43)35-52-56(46,47)48)37-51-41(44)33-31-29-27-25-23-14-12-10-8-6-4-2/h10,12,16-17,39-40,43H,3-9,11,13-15,18-38H2,1-2H3,(H,49,50)(H2,46,47,48)/p-3/b12-10-,17-16-/t39-,40+/m0/s1 |
| SMILES | CCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@@H](O)COP(=O)([O-])[O-])OC(=O)CCCCCCCCCCC/C=C\CCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C42H80O13P2/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-42(45)55-40(38-54-57(49,50)53-36-39(43)35-52-56(46,47)48)37-51-41(44)33-31-29-27-25-23-14-12-10-8-6-4-2/h10,12,16-17,39-40,43H,3-9,11,13-15,18-38H2,1-2H3,(H,49,50)(H2,46,47,48)/b12-10-,17-16-/t39-,40+/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15]/[CH:16]=[CH:17]\[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][C:42](=[O:45])[O:55][C@H:40]([CH2:37][O:51][C:41]([CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:14]/[CH:12]=[CH:10]\[CH2:8][CH2:6][CH2:4][CH3:2])=[O:44])[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] |
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