| Properties | Image |
|---|
| MNX_ID | MNXM345514 |
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| reference | slm:000450242 |
| formula | C43H70O19P3 |
| global charge | -5 |
| mol weight | 983.936 |
| InChIKey | PKVDONMUKGQOFV-FLDAKNFUSA-I |
| InChI | InChI=1S/C43H75O19P3/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-28-30-32-37(45)59-35(33-57-36(44)31-29-27-25-10-8-6-4-2)34-58-65(55,56)62-43-39(47)41(60-63(49,50)51)38(46)42(40(43)48)61-64(52,53)54/h5,7,11-12,14-15,17-18,20-21,35,38-43,46-48H,3-4,6,8-10,13,16,19,22-34H2,1-2H3,(H,55,56)(H2,49,50,51)(H2,52,53,54)/p-5/b7-5-,12-11-,15-14-,18-17-,21-20-/t35-,38-,39-,40-,41-,42+,43-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC)COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](OP(=O)([O-])[O-])[C@@H](O)[C@H](OP(=O)([O-])[O-])[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C43H75O19P3/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-28-30-32-37(45)59-35(33-57-36(44)31-29-27-25-10-8-6-4-2)34-58-65(55,56)62-43-39(47)41(60-63(49,50)51)38(46)42(40(43)48)61-64(52,53)54/h5,7,11-12,14-15,17-18,20-21,35,38-43,46-48H,3-4,6,8-10,13,16,19,22-34H2,1-2H3,(H,55,56)(H2,49,50,51)(H2,52,53,54)/b7-5-,12-11-,15-14-,18-17-,21-20-/t35-,38-,39-,40-,41-,42+,43-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3]/[CH:5]=[CH:7]\[CH2:9]/[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][CH2:26][CH2:28][CH2:30][CH2:32][C:37](=[O:45])[O:59][C@H:35]([CH2:33][O:57][C:36]([CH2:31][CH2:29][CH2:27][CH2:25][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:44])[CH2:34][O:58][P:65]([OH:55])(=[O:56])[O:62][C@@H:43]1[C@H:39]([OH:47])[C@H:41]([O:60][P:63]([OH:49])([OH:50])=[O:51])[C@@H:38]([OH:46])[C@H:42]([O:61][P:64]([OH:52])([OH:53])=[O:54])[C@H:40]1[OH:48] |
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