| Properties | Image |
|---|
| MNX_ID | MNXM323861 |
 |
| reference | slm:000018535 |
| formula | C45H76O13P |
| global charge | -1 |
| mol weight | 856.064 |
| InChIKey | PWFYGFDJGFDQIJ-SDFWQFJXSA-M |
| InChI | InChI=1S/C45H77O13P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(47)57-37(36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52)35-55-38(46)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h8,10-11,13-14,16-18,20,22,37,40-45,48-52H,3-7,9,12,15,19,21,23-36H2,1-2H3,(H,53,54)/p-1/b10-8-,13-11-,16-14-,18-17-,22-20-/t37-,40-,41-,42+,43-,44-,45-/m1/s1 |
| SMILES | CCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C45H77O13P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(47)57-37(36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52)35-55-38(46)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h8,10-11,13-14,16-18,20,22,37,40-45,48-52H,3-7,9,12,15,19,21,23-36H2,1-2H3,(H,53,54)/b10-8-,13-11-,16-14-,18-17-,22-20-/t37-,40-,41-,42+,43-,44-,45-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:18]\[CH2:19]/[CH:20]=[CH:22]\[CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][C:39](=[O:47])[O:57][C@H:37]([CH2:35][O:55][C:38]([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:46])[CH2:36][O:56][P:59]([OH:53])(=[O:54])[O:58][C@@H:45]1[C@H:43]([OH:51])[C@H:41]([OH:49])[C@@H:40]([OH:48])[C@H:42]([OH:50])[C@H:44]1[OH:52] |
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