| Properties | Image |
|---|
| MNX_ID | MNXM343703 |
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| reference | slm:000497425 |
| formula | C44H75O13P2 |
| global charge | -3 |
| mol weight | 874.019 |
| InChIKey | CTYZTGYTUAULRZ-HZSVOOESSA-K |
| InChI | InChI=1S/C44H78O13P2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-36-44(47)57-42(39-53-43(46)35-4-2)40-56-59(51,52)55-38-41(45)37-54-58(48,49)50/h8-9,11-12,14-15,17-18,20-21,41-42,45H,3-7,10,13,16,19,22-40H2,1-2H3,(H,51,52)(H2,48,49,50)/p-3/b9-8-,12-11-,15-14-,18-17-,21-20-/t41-,42+/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC)COP(=O)([O-])OC[C@@H](O)COP(=O)([O-])[O-] |
MNX internals
| InChI (mnx) | InChI=1/C44H78O13P2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-36-44(47)57-42(39-53-43(46)35-4-2)40-56-59(51,52)55-38-41(45)37-54-58(48,49)50/h8-9,11-12,14-15,17-18,20-21,41-42,45H,3-7,10,13,16,19,22-40H2,1-2H3,(H,51,52)(H2,48,49,50)/b9-8-,12-11-,15-14-,18-17-,21-20-/t41-,42+/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][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]\[CH2:19]/[CH:20]=[CH:21]\[CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:36][C:44](=[O:47])[O:57][C@H:42]([CH2:39][O:53][C:43]([CH2:35][CH2:4][CH3:2])=[O:46])[CH2:40][O:56][P:59]([OH:51])(=[O:52])[O:55][CH2:38][C@H:41]([CH2:37][O:54][P:58]([OH:48])([OH:49])=[O:50])[OH:45] |
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