| Properties | Image |
|---|
| MNX_ID | MNXM160071 |
 |
| reference | lipidmapsM:LMGP15010124 |
| formula | C61H107O28P |
| global charge | 0 |
| mol weight | 1319.473 |
| InChIKey | FLFYDEHTEPPCKY-BTBYCFMUSA-N |
| InChI | InChI=1S/C61H107O28P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-42(64)80-35-38(83-43(65)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2)36-82-90(78,79)89-58-56(87-60-54(76)48(70)45(67)40(34-63)85-60)51(73)50(72)52(74)57(58)88-61-55(77)49(71)46(68)41(86-61)37-81-59-53(75)47(69)44(66)39(33-62)84-59/h11,13-14,16-18,38-41,44-63,66-77H,3-10,12,15,19-37H2,1-2H3,(H,78,79)/b13-11-,16-14-,18-17-/t38-,39-,40-,41-,44-,45-,46-,47+,48+,49+,50-,51-,52+,53+,54+,55+,56+,57+,58-,59+,60-,61-/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]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)OC(=O)CCCCCCC/C=C\CCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C61H107O28P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-42(64)80-35-38(83-43(65)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2)36-82-90(78,79)89-58-56(87-60-54(76)48(70)45(67)40(34-63)85-60)51(73)50(72)52(74)57(58)88-61-55(77)49(71)46(68)41(86-61)37-81-59-53(75)47(69)44(66)39(33-62)84-59/h11,13-14,16-18,38-41,44-63,66-77H,3-10,12,15,19-37H2,1-2H3,(H,78,79)/b13-11-,16-14-,18-17-/t38-,39-,40-,41-,44-,45-,46-,47+,48+,49+,50-,51-,52+,53+,54+,55+,56+,57+,58-,59+,60-,61-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:18]\[CH2:20][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][C:42](=[O:64])[O:80][CH2:35][C@H:38]([CH2:36][O:82][P:90]([OH:78])(=[O:79])[O:89][C@@H:58]1[C@@H:56]([O:87][C@@H:60]2[C@@H:54]([OH:76])[C@@H:48]([OH:70])[C@H:45]([OH:67])[C@@H:40]([CH2:34][OH:63])[O:85]2)[C@H:51]([OH:73])[C@@H:50]([OH:72])[C@H:52]([OH:74])[C@@H:57]1[O:88][C@@H:61]1[C@@H:55]([OH:77])[C@@H:49]([OH:71])[C@H:46]([OH:68])[C@@H:41]([CH2:37][O:81][C@@H:59]2[C@@H:53]([OH:75])[C@@H:47]([OH:69])[C@H:44]([OH:66])[C@@H:39]([CH2:33][OH:62])[O:84]2)[O:86]1)[O:83][C:43]([CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:22][CH2:19]/[CH:16]=[CH:14]\[CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:65] |
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