| Properties | Image |
|---|
| MNX_ID | MNXM153765 |
 |
| reference | lipidmapsM:LMGP12010235 |
| formula | C77H148O17P2 |
| global charge | 0 |
| mol weight | 1407.962 |
| InChIKey | YYGLTZAEHFRBIL-BBJSQZNJSA-N |
| InChI | InChI=1S/C77H148O17P2/c1-5-9-13-17-21-25-29-33-35-39-41-45-49-53-57-61-74(79)87-67-72(93-76(81)63-59-55-51-47-43-37-31-27-23-19-15-11-7-3)69-91-95(83,84)89-65-71(78)66-90-96(85,86)92-70-73(94-77(82)64-60-56-52-48-44-38-32-28-24-20-16-12-8-4)68-88-75(80)62-58-54-50-46-42-40-36-34-30-26-22-18-14-10-6-2/h33,35,71-73,78H,5-32,34,36-70H2,1-4H3,(H,83,84)(H,85,86)/b35-33-/t71-,72+,73+/m0/s1 |
| SMILES | CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](O)COP(=O)(O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C77H148O17P2/c1-5-9-13-17-21-25-29-33-35-39-41-45-49-53-57-61-74(79)87-67-72(93-76(81)63-59-55-51-47-43-37-31-27-23-19-15-11-7-3)69-91-95(83,84)89-65-71(78)66-90-96(85,86)92-70-73(94-77(82)64-60-56-52-48-44-38-32-28-24-20-16-12-8-4)68-88-75(80)62-58-54-50-46-42-40-36-34-30-26-22-18-14-10-6-2/h33,35,71-73,78H,5-32,34,36-70H2,1-4H3,(H,83,84)(H,85,86)/b35-33-/t71-,72+,73+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:5][CH2:9][CH2:13][CH2:17][CH2:21][CH2:25][CH2:29]/[CH:33]=[CH:35]\[CH2:39][CH2:41][CH2:45][CH2:49][CH2:53][CH2:57][CH2:61][C:74](=[O:79])[O:87][CH2:67][C@H:72]([CH2:69][O:91][P:95]([OH:83])(=[O:84])[O:89][CH2:65][C@@H:71]([CH2:66][O:90][P:96]([OH:85])(=[O:86])[O:92][CH2:70][C@@H:73]([CH2:68][O:88][C:75]([CH2:62][CH2:58][CH2:54][CH2:50][CH2:46][CH2:42][CH2:40][CH2:36][CH2:34][CH2:30][CH2:26][CH2:22][CH2:18][CH2:14][CH2:10][CH2:6][CH3:2])=[O:80])[O:94][C:77]([CH2:64][CH2:60][CH2:56][CH2:52][CH2:48][CH2:44][CH2:38][CH2:32][CH2:28][CH2:24][CH2:20][CH2:16][CH2:12][CH2:8][CH3:4])=[O:82])[OH:78])[O:93][C:76]([CH2:63][CH2:59][CH2:55][CH2:51][CH2:47][CH2:43][CH2:37][CH2:31][CH2:27][CH2:23][CH2:19][CH2:15][CH2:11][CH2:7][CH3:3])=[O:81] |
|