| Properties | Image |
|---|
| MNX_ID | MNXM181734 |
 |
| reference | slm:000426247 |
| formula | C43H70O19P3 |
| global charge | -5 |
| mol weight | 983.936 |
| InChIKey | DTHFKAGSEMUTGD-IUPQRNOMSA-I |
| InChI | InChI=1S/C43H75O19P3/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-30-31-36(44)57-33-35(59-37(45)32-29-6-4-2)34-58-65(55,56)62-41-38(46)39(47)42(60-63(49,50)51)43(40(41)48)61-64(52,53)54/h9-10,12-13,15-16,18-19,21-22,35,38-43,46-48H,3-8,11,14,17,20,23-34H2,1-2H3,(H,55,56)(H2,49,50,51)(H2,52,53,54)/p-5/b10-9-,13-12-,16-15-,19-18-,22-21-/t35-,38-,39-,40+,41+,42+,43+/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)OC[C@H](COP(=O)([O-])O[C@H]1[C@H](O)[C@@H](O)[C@H](OP(=O)([O-])[O-])[C@@H](OP(=O)([O-])[O-])[C@H]1O)OC(=O)CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C43H75O19P3/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-30-31-36(44)57-33-35(59-37(45)32-29-6-4-2)34-58-65(55,56)62-41-38(46)39(47)42(60-63(49,50)51)43(40(41)48)61-64(52,53)54/h9-10,12-13,15-16,18-19,21-22,35,38-43,46-48H,3-8,11,14,17,20,23-34H2,1-2H3,(H,55,56)(H2,49,50,51)(H2,52,53,54)/b10-9-,13-12-,16-15-,19-18-,22-21-/t35-,38-,39-,40+,41+,42+,43+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:8]/[CH:9]=[CH:10]\[CH2:11]/[CH:12]=[CH:13]\[CH2:14]/[CH:15]=[CH:16]\[CH2:17]/[CH:18]=[CH:19]\[CH2:20]/[CH:21]=[CH:22]\[CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:30][CH2:31][C:36](=[O:44])[O:57][CH2:33][C@H:35]([CH2:34][O:58][P:65]([OH:55])(=[O:56])[O:62][C@H:41]1[C@H:38]([OH:46])[C@@H:39]([OH:47])[C@H:42]([O:60][P:63]([OH:49])([OH:50])=[O:51])[C@@H:43]([O:61][P:64]([OH:52])([OH:53])=[O:54])[C@H:40]1[OH:48])[O:59][C:37]([CH2:32][CH2:29][CH2:6][CH2:4][CH3:2])=[O:45] |
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