| Properties | Image |
|---|
| MNX_ID | MNXM322187 |
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| reference | slm:000475163 |
| formula | C42H75O13P2 |
| global charge | -3 |
| mol weight | 849.997 |
| InChIKey | XHQISHOBRFBOCA-QGQWTPBOSA-K |
| InChI | InChI=1S/C42H78O13P2/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-42(45)55-40(38-54-57(49,50)53-36-39(43)35-52-56(46,47)48)37-51-41(44)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h8,10,14,16-18,39-40,43H,3-7,9,11-13,15,19-38H2,1-2H3,(H,49,50)(H2,46,47,48)/p-3/b10-8-,16-14-,18-17-/t39-,40+/m0/s1 |
| SMILES | CCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@@H](O)COP(=O)([O-])[O-])OC(=O)CCCCCCCCC/C=C\CCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C42H78O13P2/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-42(45)55-40(38-54-57(49,50)53-36-39(43)35-52-56(46,47)48)37-51-41(44)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h8,10,14,16-18,39-40,43H,3-7,9,11-13,15,19-38H2,1-2H3,(H,49,50)(H2,46,47,48)/b10-8-,16-14-,18-17-/t39-,40+/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][CH2:20][CH2:22][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][C:42](=[O:45])[O:55][C@H:40]([CH2:37][O:51][C:41]([CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:21]/[CH:16]=[CH:14]\[CH2:12]/[CH:10]=[CH:8]\[CH2:6][CH2:4][CH3:2])=[O:44])[CH2:38][O:54][P:57]([OH:49])(=[O:50])[O:53][CH2:36][C@H:39]([CH2:35][O:52][P:56]([OH:46])([OH:47])=[O:48])[OH:43] |
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