| Properties | Image |
|---|
| MNX_ID | MNXM157507 |
 |
| reference | lipidmapsM:LMGP15040017 |
| formula | C43H79O27P |
| global charge | 0 |
| mol weight | 1059.052 |
| InChIKey | BPJFUCJWHOZRPP-MDSDSLAUSA-N |
| InChI | InChI=1S/C43H79O27P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-25(47)62-18-21(46)19-64-71(60,61)70-40-38(68-42-36(58)30(52)27(49)23(17-45)66-42)33(55)32(54)34(56)39(40)69-43-37(59)31(53)28(50)24(67-43)20-63-41-35(57)29(51)26(48)22(16-44)65-41/h21-24,26-46,48-59H,2-20H2,1H3,(H,60,61)/t21-,22-,23-,24-,26-,27-,28-,29+,30+,31+,32-,33-,34+,35+,36+,37+,38+,39+,40-,41+,42-,43-/m1/s1 |
| SMILES | CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@@H]1[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H](O)[C@@H]1O[C@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C43H79O27P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-25(47)62-18-21(46)19-64-71(60,61)70-40-38(68-42-36(58)30(52)27(49)23(17-45)66-42)33(55)32(54)34(56)39(40)69-43-37(59)31(53)28(50)24(67-43)20-63-41-35(57)29(51)26(48)22(16-44)65-41/h21-24,26-46,48-59H,2-20H2,1H3,(H,60,61)/t21-,22-,23-,24-,26-,27-,28-,29+,30+,31+,32-,33-,34+,35+,36+,37+,38+,39+,40-,41+,42-,43-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][C:25](=[O:47])[O:62][CH2:18][C@H:21]([CH2:19][O:64][P:71]([OH:60])(=[O:61])[O:70][C@@H:40]1[C@@H:38]([O:68][C@@H:42]2[C@@H:36]([OH:58])[C@@H:30]([OH:52])[C@H:27]([OH:49])[C@@H:23]([CH2:17][OH:45])[O:66]2)[C@H:33]([OH:55])[C@@H:32]([OH:54])[C@H:34]([OH:56])[C@@H:39]1[O:69][C@@H:43]1[C@@H:37]([OH:59])[C@@H:31]([OH:53])[C@H:28]([OH:50])[C@@H:24]([CH2:20][O:63][C@@H:41]2[C@@H:35]([OH:57])[C@@H:29]([OH:51])[C@H:26]([OH:48])[C@@H:22]([CH2:16][OH:44])[O:65]2)[O:67]1)[OH:46] |
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