| Properties | Image |
|---|
| MNX_ID | MNXM192422 |
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| reference | slm:000471190 |
| formula | C41H77O13P2 |
| global charge | -3 |
| mol weight | 840.002 |
| InChIKey | NWOZGWBSTNJJAX-ACOKGBTCSA-K |
| InChI | InChI=1S/C41H80O13P2/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-40(43)50-36-39(37-53-56(48,49)52-35-38(42)34-51-55(45,46)47)54-41(44)33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h13,15,38-39,42H,3-12,14,16-37H2,1-2H3,(H,48,49)(H2,45,46,47)/p-3/b15-13+/t38-,39+/m0/s1 |
| SMILES | CCCCCC/C=C/CCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@@H](O)COP(=O)([O-])[O-])OC(=O)CCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C41H80O13P2/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-40(43)50-36-39(37-53-56(48,49)52-35-38(42)34-51-55(45,46)47)54-41(44)33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h13,15,38-39,42H,3-12,14,16-37H2,1-2H3,(H,48,49)(H2,45,46,47)/b15-13+/t38-,39+/m0/s1 |
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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][CH2:22][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][C:40](=[O:43])[O:50][CH2:36][C@H:39]([CH2:37][O:53][P:56]([OH:48])(=[O:49])[O:52][CH2:35][C@H:38]([CH2:34][O:51][P:55]([OH:45])([OH:46])=[O:47])[OH:42])[O:54][C:41]([CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:44] |
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