| Properties | Image |
|---|
| MNX_ID | MNXM214323 |
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| reference | slm:000471967 |
| formula | C39H69O13P2 |
| global charge | -3 |
| mol weight | 807.916 |
| InChIKey | BVEOTAGSAKHXII-ZELODYRYSA-K |
| InChI | InChI=1S/C39H72O13P2/c1-4-5-6-7-8-9-10-11-12-13-14-17-21-24-27-30-39(42)52-37(34-51-54(46,47)50-32-36(40)31-49-53(43,44)45)33-48-38(41)29-26-23-20-18-15-16-19-22-25-28-35(2)3/h5-6,8-9,11-12,35-37,40H,4,7,10,13-34H2,1-3H3,(H,46,47)(H2,43,44,45)/p-3/b6-5-,9-8-,12-11-/t36-,37+/m0/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCC(C)C)COP(=O)([O-])OC[C@@H](O)COP(=O)([O-])[O-] |
MNX internals
| InChI (mnx) | InChI=1/C39H72O13P2/c1-4-5-6-7-8-9-10-11-12-13-14-17-21-24-27-30-39(42)52-37(34-51-54(46,47)50-32-36(40)31-49-53(43,44)45)33-48-38(41)29-26-23-20-18-15-16-19-22-25-28-35(2)3/h5-6,8-9,11-12,35-37,40H,4,7,10,13-34H2,1-3H3,(H,46,47)(H2,43,44,45)/b6-5-,9-8-,12-11-/t36-,37+/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4]/[CH:5]=[CH:6]\[CH2:7]/[CH:8]=[CH:9]\[CH2:10]/[CH:11]=[CH:12]\[CH2:13][CH2:14][CH2:17][CH2:21][CH2:24][CH2:27][CH2:30][C:39](=[O:42])[O:52][C@H:37]([CH2:33][O:48][C:38]([CH2:29][CH2:26][CH2:23][CH2:20][CH2:18][CH2:15][CH2:16][CH2:19][CH2:22][CH2:25][CH2:28][CH:35]([CH3:2])[CH3:3])=[O:41])[CH2:34][O:51][P:54]([OH:46])(=[O:47])[O:50][CH2:32][C@H:36]([CH2:31][O:49][P:53]([OH:43])([OH:44])=[O:45])[OH:40] |
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