| Properties | Image |
|---|
| MNX_ID | MNXM185579 |
 |
| reference | slm:000432736 |
| formula | C44H77O16P2 |
| global charge | -3 |
| mol weight | 924.032 |
| InChIKey | UQDCTBVDASWFIV-CKWXEBLQSA-K |
| InChI | InChI=1S/C44H80O16P2/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-25-26-28-30-32-37(45)56-34-36(58-38(46)33-31-29-27-24-14-12-10-8-6-4-2)35-57-62(54,55)60-44-41(49)39(47)40(48)43(42(44)50)59-61(51,52)53/h11,13,16-17,19-20,36,39-44,47-50H,3-10,12,14-15,18,21-35H2,1-2H3,(H,54,55)(H2,51,52,53)/p-3/b13-11-,17-16-,20-19-/t36-,39-,40-,41-,42-,43+,44-/m1/s1 |
| SMILES | CCCCC/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](OP(=O)([O-])[O-])[C@H](O)[C@@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C44H80O16P2/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-25-26-28-30-32-37(45)56-34-36(58-38(46)33-31-29-27-24-14-12-10-8-6-4-2)35-57-62(54,55)60-44-41(49)39(47)40(48)43(42(44)50)59-61(51,52)53/h11,13,16-17,19-20,36,39-44,47-50H,3-10,12,14-15,18,21-35H2,1-2H3,(H,54,55)(H2,51,52,53)/b13-11-,17-16-,20-19-/t36-,39-,40-,41-,42-,43+,44-/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:16]=[CH:17]\[CH2:18]/[CH:19]=[CH:20]\[CH2:21][CH2:22][CH2:23][CH2:25][CH2:26][CH2:28][CH2:30][CH2:32][C:37](=[O:45])[O:56][CH2:34][C@H:36]([CH2:35][O:57][P:62]([OH:54])(=[O:55])[O:60][C@@H:44]1[C@H:41]([OH:49])[C@H:39]([OH:47])[C@@H:40]([OH:48])[C@H:43]([O:59][P:61]([OH:51])([OH:52])=[O:53])[C@H:42]1[OH:50])[O:58][C:38]([CH2:33][CH2:31][CH2:29][CH2:27][CH2:24][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:46] |
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