| Properties | Image |
|---|
| MNX_ID | MNXM212906 |
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| reference | slm:000002235 |
| formula | C45H85NO10P |
| global charge | -1 |
| mol weight | 831.146 |
| InChIKey | CFDXDWOYPYKKET-QUPBNCFESA-M |
| InChI | InChI=1S/C45H86NO10P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-27-30-33-36-44(48)56-41(38-54-57(51,52)55-39-42(46)45(49)50)37-53-43(47)35-32-29-26-24-21-22-25-28-31-34-40(2)3/h11-12,40-42H,4-10,13-39,46H2,1-3H3,(H,49,50)(H,51,52)/p-1/b12-11-/t41-,42+/m1/s1 |
| SMILES | CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCC(C)C)COP(=O)([O-])OC[C@H]([NH3+])C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C45H86NO10P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-27-30-33-36-44(48)56-41(38-54-57(51,52)55-39-42(46)45(49)50)37-53-43(47)35-32-29-26-24-21-22-25-28-31-34-40(2)3/h11-12,40-42H,4-10,13-39,46H2,1-3H3,(H,49,50)(H,51,52)/b12-11-/t41-,42+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10]/[CH:11]=[CH:12]\[CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:23][CH2:27][CH2:30][CH2:33][CH2:36][C:44](=[O:48])[O:56][C@H:41]([CH2:37][O:53][C:43]([CH2:35][CH2:32][CH2:29][CH2:26][CH2:24][CH2:21][CH2:22][CH2:25][CH2:28][CH2:31][CH2:34][CH:40]([CH3:2])[CH3:3])=[O:47])[CH2:38][O:54][P:57]([OH:51])(=[O:52])[O:55][CH2:39][C@@H:42]([C:45](=[O:49])[OH:50])[NH2:46] |
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