| Properties | Image |
|---|
| MNX_ID | MNXM159978 |
 |
| reference | lipidmapsM:LMGP15010031 |
| formula | C51H91O18P |
| global charge | 0 |
| mol weight | 1023.245 |
| InChIKey | GSNPRBBRNYSAQM-IKDNKZGISA-N |
| InChI | InChI=1S/C51H91O18P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(53)64-36-38(66-41(54)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-65-70(62,63)69-50-47(60)45(58)44(57)46(59)49(50)68-51-48(61)43(56)42(55)39(35-52)67-51/h11,13,17-20,38-39,42-52,55-61H,3-10,12,14-16,21-37H2,1-2H3,(H,62,63)/b13-11-,19-17-,20-18-/t38-,39-,42-,43+,44+,45+,46-,47+,48+,49+,50+,51-/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](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)CCCCCCC/C=C\CCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C51H91O18P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(53)64-36-38(66-41(54)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-65-70(62,63)69-50-47(60)45(58)44(57)46(59)49(50)68-51-48(61)43(56)42(55)39(35-52)67-51/h11,13,17-20,38-39,42-52,55-61H,3-10,12,14-16,21-37H2,1-2H3,(H,62,63)/b13-11-,19-17-,20-18-/t38-,39-,42-,43+,44+,45+,46-,47+,48+,49+,50+,51-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:19]\[CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][C:40](=[O:53])[O:64][CH2:36][C@H:38]([CH2:37][O:65][P:70]([OH:62])(=[O:63])[O:69][C@H:50]1[C@@H:47]([OH:60])[C@@H:45]([OH:58])[C@H:44]([OH:57])[C@@H:46]([OH:59])[C@@H:49]1[O:68][C@@H:51]1[C@@H:48]([OH:61])[C@@H:43]([OH:56])[C@H:42]([OH:55])[C@@H:39]([CH2:35][OH:52])[O:67]1)[O:66][C:41]([CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:22]/[CH:20]=[CH:18]\[CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:54] |
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