| Properties | Image |
|---|
| MNX_ID | MNXM320136 |
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| reference | slm:000449523 |
| formula | C45H76O19P3 |
| global charge | -5 |
| mol weight | 1014.006 |
| InChIKey | WKXUBODWKMJFSI-DWTZXTKSSA-I |
| InChI | InChI=1S/C45H81O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)59-35-37(61-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-60-67(57,58)64-45-41(49)43(62-65(51,52)53)40(48)44(42(45)50)63-66(54,55)56/h5,7,11,13,17,19,24,26,37,40-45,48-50H,3-4,6,8-10,12,14-16,18,20-23,25,27-36H2,1-2H3,(H,57,58)(H2,51,52,53)(H2,54,55,56)/p-5/b7-5-,13-11-,19-17-,26-24-/t37-,40-,41-,42-,43-,44+,45-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=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](OP(=O)([O-])[O-])[C@H]1O)OC(=O)CCCC/C=C\CCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C45H81O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)59-35-37(61-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-60-67(57,58)64-45-41(49)43(62-65(51,52)53)40(48)44(42(45)50)63-66(54,55)56/h5,7,11,13,17,19,24,26,37,40-45,48-50H,3-4,6,8-10,12,14-16,18,20-23,25,27-36H2,1-2H3,(H,57,58)(H2,51,52,53)(H2,54,55,56)/b7-5-,13-11-,19-17-,26-24-/t37-,40-,41-,42-,43-,44+,45-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3]/[CH:5]=[CH:7]\[CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:19]\[CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][C:38](=[O:46])[O:59][CH2:35][C@H:37]([CH2:36][O:60][P:67]([OH:57])(=[O:58])[O:64][C@@H:45]1[C@H:41]([OH:49])[C@H:43]([O:62][P:65]([OH:51])([OH:52])=[O:53])[C@@H:40]([OH:48])[C@H:44]([O:63][P:66]([OH:54])([OH:55])=[O:56])[C@H:42]1[OH:50])[O:61][C:39]([CH2:34][CH2:32][CH2:30][CH2:28]/[CH:26]=[CH:24]\[CH2:22][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:47] |
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