| Properties | Image |
|---|
| MNX_ID | MNXM188590 |
 |
| reference | slm:000471268 |
| formula | C40H77O13P2 |
| global charge | -3 |
| mol weight | 827.991 |
| InChIKey | JHGOERXLFCLPAQ-QPPIDDCLSA-K |
| InChI | InChI=1S/C40H80O13P2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-25-28-31-40(43)53-38(35-52-55(47,48)51-33-37(41)32-50-54(44,45)46)34-49-39(42)30-27-24-22-19-20-23-26-29-36(2)3/h36-38,41H,4-35H2,1-3H3,(H,47,48)(H2,44,45,46)/p-3/t37-,38+/m0/s1 |
| SMILES | CCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCC(C)C)COP(=O)([O-])OC[C@@H](O)COP(=O)([O-])[O-] |
MNX internals
| InChI (mnx) | InChI=1/C40H80O13P2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-25-28-31-40(43)53-38(35-52-55(47,48)51-33-37(41)32-50-54(44,45)46)34-49-39(42)30-27-24-22-19-20-23-26-29-36(2)3/h36-38,41H,4-35H2,1-3H3,(H,47,48)(H2,44,45,46)/t37-,38+/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:21][CH2:25][CH2:28][CH2:31][C:40](=[O:43])[O:53][C@H:38]([CH2:34][O:49][C:39]([CH2:30][CH2:27][CH2:24][CH2:22][CH2:19][CH2:20][CH2:23][CH2:26][CH2:29][CH:36]([CH3:2])[CH3:3])=[O:42])[CH2:35][O:52][P:55]([OH:47])(=[O:48])[O:51][CH2:33][C@H:37]([CH2:32][O:50][P:54]([OH:44])([OH:45])=[O:46])[OH:41] |
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