| Properties | Image |
|---|
| MNX_ID | MNXM332816 |
 |
| reference | slm:000018742 |
| formula | C44H82O13P |
| global charge | -1 |
| mol weight | 850.101 |
| InChIKey | XQVNFTHOFDKDBY-WAFTVBFDSA-M |
| InChI | InChI=1S/C44H83O13P/c1-4-5-6-7-8-9-10-11-12-13-16-19-22-25-28-31-37(45)54-33-36(34-55-58(52,53)57-44-42(50)40(48)39(47)41(49)43(44)51)56-38(46)32-29-26-23-20-17-14-15-18-21-24-27-30-35(2)3/h11-12,35-36,39-44,47-51H,4-10,13-34H2,1-3H3,(H,52,53)/p-1/b12-11-/t36-,39-,40-,41+,42-,43-,44-/m1/s1 |
| SMILES | CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C44H83O13P/c1-4-5-6-7-8-9-10-11-12-13-16-19-22-25-28-31-37(45)54-33-36(34-55-58(52,53)57-44-42(50)40(48)39(47)41(49)43(44)51)56-38(46)32-29-26-23-20-17-14-15-18-21-24-27-30-35(2)3/h11-12,35-36,39-44,47-51H,4-10,13-34H2,1-3H3,(H,52,53)/b12-11-/t36-,39-,40-,41+,42-,43-,44-/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][CH2:16][CH2:19][CH2:22][CH2:25][CH2:28][CH2:31][C:37](=[O:45])[O:54][CH2:33][C@H:36]([CH2:34][O:55][P:58]([OH:52])(=[O:53])[O:57][C@@H:44]1[C@H:42]([OH:50])[C@H:40]([OH:48])[C@@H:39]([OH:47])[C@H:41]([OH:49])[C@H:43]1[OH:51])[O:56][C:38]([CH2:32][CH2:29][CH2:26][CH2:23][CH2:20][CH2:17][CH2:14][CH2:15][CH2:18][CH2:21][CH2:24][CH2:27][CH2:30][CH:35]([CH3:2])[CH3:3])=[O:46] |
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