| Properties | Image |
|---|
| MNX_ID | MNXM157514 |
 |
| reference | lipidmapsM:LMGP15040024 |
| formula | C46H81O27P |
| global charge | 0 |
| mol weight | 1097.101 |
| InChIKey | MOXLIUKDYREFAF-PQRKQIQHSA-N |
| InChI | InChI=1S/C46H81O27P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-28(50)65-21-24(49)22-67-74(63,64)73-43-41(71-45-39(61)33(55)30(52)26(20-48)69-45)36(58)35(57)37(59)42(43)72-46-40(62)34(56)31(53)27(70-46)23-66-44-38(60)32(54)29(51)25(19-47)68-44/h7-8,10-11,24-27,29-49,51-62H,2-6,9,12-23H2,1H3,(H,63,64)/b8-7-,11-10-/t24-,25-,26-,27-,29-,30-,31-,32+,33+,34+,35-,36-,37+,38+,39+,40+,41+,42+,43-,44+,45-,46-/m1/s1 |
| SMILES | CCCCCC/C=C\C/C=C\CCCCCCCC(=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/C46H81O27P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-28(50)65-21-24(49)22-67-74(63,64)73-43-41(71-45-39(61)33(55)30(52)26(20-48)69-45)36(58)35(57)37(59)42(43)72-46-40(62)34(56)31(53)27(70-46)23-66-44-38(60)32(54)29(51)25(19-47)68-44/h7-8,10-11,24-27,29-49,51-62H,2-6,9,12-23H2,1H3,(H,63,64)/b8-7-,11-10-/t24-,25-,26-,27-,29-,30-,31-,32+,33+,34+,35-,36-,37+,38+,39+,40+,41+,42+,43-,44+,45-,46-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]/[CH:7]=[CH:8]\[CH2:9]/[CH:10]=[CH:11]\[CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][C:28](=[O:50])[O:65][CH2:21][C@H:24]([CH2:22][O:67][P:74]([OH:63])(=[O:64])[O:73][C@@H:43]1[C@@H:41]([O:71][C@@H:45]2[C@@H:39]([OH:61])[C@@H:33]([OH:55])[C@H:30]([OH:52])[C@@H:26]([CH2:20][OH:48])[O:69]2)[C@H:36]([OH:58])[C@@H:35]([OH:57])[C@H:37]([OH:59])[C@@H:42]1[O:72][C@@H:46]1[C@@H:40]([OH:62])[C@@H:34]([OH:56])[C@H:31]([OH:53])[C@@H:27]([CH2:23][O:66][C@@H:44]2[C@@H:38]([OH:60])[C@@H:32]([OH:54])[C@H:29]([OH:51])[C@@H:25]([CH2:19][OH:47])[O:68]2)[O:70]1)[OH:49] |
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