| Properties | Image |
|---|
| MNX_ID | MNXM335046 |
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| reference | slm:000475464 |
| formula | C39H73O13P2 |
| global charge | -3 |
| mol weight | 811.948 |
| InChIKey | AIMLPIUEIQKALN-FMECKOKGSA-K |
| InChI | InChI=1S/C39H76O13P2/c1-3-5-7-9-11-13-15-17-18-19-21-22-24-26-28-30-38(41)48-34-37(35-51-54(46,47)50-33-36(40)32-49-53(43,44)45)52-39(42)31-29-27-25-23-20-16-14-12-10-8-6-4-2/h17-18,36-37,40H,3-16,19-35H2,1-2H3,(H,46,47)(H2,43,44,45)/p-3/b18-17-/t36-,37+/m0/s1 |
| SMILES | CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@@H](O)COP(=O)([O-])[O-])OC(=O)CCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C39H76O13P2/c1-3-5-7-9-11-13-15-17-18-19-21-22-24-26-28-30-38(41)48-34-37(35-51-54(46,47)50-33-36(40)32-49-53(43,44)45)52-39(42)31-29-27-25-23-20-16-14-12-10-8-6-4-2/h17-18,36-37,40H,3-16,19-35H2,1-2H3,(H,46,47)(H2,43,44,45)/b18-17-/t36-,37+/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15]/[CH:17]=[CH:18]\[CH2:19][CH2:21][CH2:22][CH2:24][CH2:26][CH2:28][CH2:30][C:38](=[O:41])[O:48][CH2:34][C@H:37]([CH2:35][O:51][P:54]([OH:46])(=[O:47])[O:50][CH2:33][C@H:36]([CH2:32][O:49][P:53]([OH:43])([OH:44])=[O:45])[OH:40])[O:52][C:39]([CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:20][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:42] |
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