| Properties | Image |
|---|
| MNX_ID | MNXM213911 |
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| reference | slm:000471959 |
| formula | C43H75O13P2 |
| global charge | -3 |
| mol weight | 862.008 |
| InChIKey | BBNYYTXIORCRRW-PCTGLXKCSA-K |
| InChI | InChI=1S/C43H78O13P2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-25-28-31-34-43(46)56-41(38-55-58(50,51)54-36-40(44)35-53-57(47,48)49)37-52-42(45)33-30-27-24-22-19-20-23-26-29-32-39(2)3/h8-9,11-12,14-15,17-18,39-41,44H,4-7,10,13,16,19-38H2,1-3H3,(H,50,51)(H2,47,48,49)/p-3/b9-8-,12-11-,15-14-,18-17-/t40-,41+/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=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/C43H78O13P2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-25-28-31-34-43(46)56-41(38-55-58(50,51)54-36-40(44)35-53-57(47,48)49)37-52-42(45)33-30-27-24-22-19-20-23-26-29-32-39(2)3/h8-9,11-12,14-15,17-18,39-41,44H,4-7,10,13,16,19-38H2,1-3H3,(H,50,51)(H2,47,48,49)/b9-8-,12-11-,15-14-,18-17-/t40-,41+/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:5][CH2:6][CH2:7]/[CH:8]=[CH:9]\[CH2:10]/[CH:11]=[CH:12]\[CH2:13]/[CH:14]=[CH:15]\[CH2:16]/[CH:17]=[CH:18]\[CH2:21][CH2:25][CH2:28][CH2:31][CH2:34][C:43](=[O:46])[O:56][C@H:41]([CH2:37][O:52][C:42]([CH2:33][CH2:30][CH2:27][CH2:24][CH2:22][CH2:19][CH2:20][CH2:23][CH2:26][CH2:29][CH2:32][CH:39]([CH3:2])[CH3:3])=[O:45])[CH2:38][O:55][P:58]([OH:50])(=[O:51])[O:54][CH2:36][C@H:40]([CH2:35][O:53][P:57]([OH:47])([OH:48])=[O:49])[OH:44] |
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