| Properties | Image |
|---|
| MNX_ID | MNXM328244 |
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| reference | slm:000443307 |
| formula | C33H55O22P4 |
| global charge | -7 |
| mol weight | 927.677 |
| InChIKey | WDJNGAQOVMKBKN-NQIJBETJSA-G |
| InChI | InChI=1S/C33H62O22P4/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-20-21-26(34)49-23-25(51-27(35)22-19-6-4-2)24-50-59(47,48)55-30-28(36)31(52-56(38,39)40)33(54-58(44,45)46)32(29(30)37)53-57(41,42)43/h9-10,12-13,25,28-33,36-37H,3-8,11,14-24H2,1-2H3,(H,47,48)(H2,38,39,40)(H2,41,42,43)(H2,44,45,46)/p-7/b10-9-,13-12-/t25-,28+,29+,30-,31+,32-,33-/m1/s1 |
| SMILES | CCCCC/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](OP(=O)([O-])[O-])[C@@H](OP(=O)([O-])[O-])[C@H]1O)OC(=O)CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C33H62O22P4/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-20-21-26(34)49-23-25(51-27(35)22-19-6-4-2)24-50-59(47,48)55-30-28(36)31(52-56(38,39)40)33(54-58(44,45)46)32(29(30)37)53-57(41,42)43/h9-10,12-13,25,28-33,36-37H,3-8,11,14-24H2,1-2H3,(H,47,48)(H2,38,39,40)(H2,41,42,43)(H2,44,45,46)/b10-9-,13-12-/t25-,28+,29+,30-,31+,32-,33-/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][CH2:15][CH2:16][CH2:17][CH2:18][CH2:20][CH2:21][C:26](=[O:34])[O:49][CH2:23][C@H:25]([CH2:24][O:50][P:59]([OH:47])(=[O:48])[O:55][C@@H:30]1[C@H:28]([OH:36])[C@H:31]([O:52][P:56]([OH:38])([OH:39])=[O:40])[C@@H:33]([O:54][P:58]([OH:44])([OH:45])=[O:46])[C@H:32]([O:53][P:57]([OH:41])([OH:42])=[O:43])[C@H:29]1[OH:37])[O:51][C:27]([CH2:22][CH2:19][CH2:6][CH2:4][CH3:2])=[O:35] |
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