| Properties | Image |
|---|
| MNX_ID | MNXM159992 |
 |
| reference | lipidmapsM:LMGP15010045 |
| formula | C50H91O18P |
| global charge | 0 |
| mol weight | 1011.234 |
| InChIKey | LPEBFFSRJOPDKR-SZXPDRFLSA-N |
| InChI | InChI=1S/C50H91O18P/c1-3-5-7-9-11-13-15-17-18-19-21-22-24-26-28-30-32-39(52)63-35-37(65-40(53)33-31-29-27-25-23-20-16-14-12-10-8-6-4-2)36-64-69(61,62)68-49-46(59)44(57)43(56)45(58)48(49)67-50-47(60)42(55)41(54)38(34-51)66-50/h13,15,18-19,37-38,41-51,54-60H,3-12,14,16-17,20-36H2,1-2H3,(H,61,62)/b15-13-,19-18-/t37-,38-,41-,42+,43+,44+,45-,46+,47+,48+,49+,50-/m1/s1 |
| SMILES | CCCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)OC(=O)CCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C50H91O18P/c1-3-5-7-9-11-13-15-17-18-19-21-22-24-26-28-30-32-39(52)63-35-37(65-40(53)33-31-29-27-25-23-20-16-14-12-10-8-6-4-2)36-64-69(61,62)68-49-46(59)44(57)43(56)45(58)48(49)67-50-47(60)42(55)41(54)38(34-51)66-50/h13,15,18-19,37-38,41-51,54-60H,3-12,14,16-17,20-36H2,1-2H3,(H,61,62)/b15-13-,19-18-/t37-,38-,41-,42+,43+,44+,45-,46+,47+,48+,49+,50-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11]/[CH:13]=[CH:15]\[CH2:17]/[CH:18]=[CH:19]\[CH2:21][CH2:22][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][C:39](=[O:52])[O:63][CH2:35][C@H:37]([CH2:36][O:64][P:69]([OH:61])(=[O:62])[O:68][C@H:49]1[C@@H:46]([OH:59])[C@@H:44]([OH:57])[C@H:43]([OH:56])[C@@H:45]([OH:58])[C@@H:48]1[O:67][C@@H:50]1[C@@H:47]([OH:60])[C@@H:42]([OH:55])[C@H:41]([OH:54])[C@@H:38]([CH2:34][OH:51])[O:66]1)[O:65][C:40]([CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:20][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:53] |
|