| Properties | Image |
|---|
| MNX_ID | MNXM157511 |
 |
| reference | lipidmapsM:LMGP15040021 |
| formula | C45H79O27P |
| global charge | 0 |
| mol weight | 1083.074 |
| InChIKey | BKQMXDDCCKOAQJ-WSOXTJLJSA-N |
| InChI | InChI=1S/C45H79O27P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27(49)64-20-23(48)21-66-73(62,63)72-42-40(70-44-38(60)32(54)29(51)25(19-47)68-44)35(57)34(56)36(58)41(42)71-45-39(61)33(55)30(52)26(69-45)22-65-43-37(59)31(53)28(50)24(18-46)67-43/h6-7,9-10,23-26,28-48,50-61H,2-5,8,11-22H2,1H3,(H,62,63)/b7-6-,10-9-/t23-,24-,25-,26-,28-,29-,30-,31+,32+,33+,34-,35-,36+,37+,38+,39+,40+,41+,42-,43+,44-,45-/m1/s1 |
| SMILES | CCCCC/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/C45H79O27P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27(49)64-20-23(48)21-66-73(62,63)72-42-40(70-44-38(60)32(54)29(51)25(19-47)68-44)35(57)34(56)36(58)41(42)71-45-39(61)33(55)30(52)26(69-45)22-65-43-37(59)31(53)28(50)24(18-46)67-43/h6-7,9-10,23-26,28-48,50-61H,2-5,8,11-22H2,1H3,(H,62,63)/b7-6-,10-9-/t23-,24-,25-,26-,28-,29-,30-,31+,32+,33+,34-,35-,36+,37+,38+,39+,40+,41+,42-,43+,44-,45-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:2][CH2:3][CH2:4][CH2:5]/[CH:6]=[CH:7]\[CH2:8]/[CH:9]=[CH:10]\[CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][C:27](=[O:49])[O:64][CH2:20][C@H:23]([CH2:21][O:66][P:73]([OH:62])(=[O:63])[O:72][C@@H:42]1[C@@H:40]([O:70][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)[C@H:35]([OH:57])[C@@H:34]([OH:56])[C@H:36]([OH:58])[C@@H:41]1[O:71][C@@H:45]1[C@@H:39]([OH:61])[C@@H:33]([OH:55])[C@H:30]([OH:52])[C@@H:26]([CH2:22][O:65][C@@H:43]2[C@@H:37]([OH:59])[C@@H:31]([OH:53])[C@H:28]([OH:50])[C@@H:24]([CH2:18][OH:46])[O:67]2)[O:69]1)[OH:48] |
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