| Properties | Image |
|---|
| MNX_ID | MNXM1105163 |
 |
| reference | lipidmapsM:LMGP12010027 |
| formula | C77H144O17P2 |
| global charge | 0 |
| mol weight | 1403.93 |
| InChIKey | BVVLTQGBRRGUSO-UPEULKHSSA-N |
| InChI | InChI=1S/C77H144O17P2/c1-5-9-13-17-21-25-29-33-35-39-42-46-50-54-58-62-75(80)88-68-73(94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2)70-92-96(85,86)90-66-71(78)65-89-95(83,84)91-69-72(93-76(81)63-59-55-51-47-43-38-32-28-24-20-16-12-8-4)67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3/h21,25,33-36,71-73,78H,5-20,22-24,26-32,37-70H2,1-4H3,(H,83,84)(H,85,86)/b25-21-,35-33-,36-34-/t71-,72-,73-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](O)COP(=O)(O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C77H144O17P2/c1-5-9-13-17-21-25-29-33-35-39-42-46-50-54-58-62-75(80)88-68-73(94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2)70-92-96(85,86)90-66-71(78)65-89-95(83,84)91-69-72(93-76(81)63-59-55-51-47-43-38-32-28-24-20-16-12-8-4)67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3/h21,25,33-36,71-73,78H,5-20,22-24,26-32,37-70H2,1-4H3,(H,83,84)(H,85,86)/b25-21-,35-33-,36-34-/t71-,72-,73-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:5][CH2:9][CH2:13][CH2:17]/[CH:21]=[CH:25]\[CH2:29]/[CH:33]=[CH:35]\[CH2:39][CH2:42][CH2:46][CH2:50][CH2:54][CH2:58][CH2:62][C:75](=[O:80])[O:88][CH2:68][C@H:73]([CH2:70][O:92][P:96]([OH:85])(=[O:86])[O:90][CH2:66][C@@H:71]([CH2:65][O:89][P:95]([OH:83])(=[O:84])[O:91][CH2:69][C@@H:72]([CH2:67][O:87][C:74]([CH2:61][CH2:57][CH2:53][CH2:49][CH2:45][CH2:41][CH2:37][CH2:31][CH2:27][CH2:23][CH2:19][CH2:15][CH2:11][CH2:7][CH3:3])=[O:79])[O:93][C:76]([CH2:63][CH2:59][CH2:55][CH2:51][CH2:47][CH2:43][CH2:38][CH2:32][CH2:28][CH2:24][CH2:20][CH2:16][CH2:12][CH2:8][CH3:4])=[O:81])[OH:78])[O:94][C:77]([CH2:64][CH2:60][CH2:56][CH2:52][CH2:48][CH2:44][CH2:40]/[CH:36]=[CH:34]\[CH2:30][CH2:26][CH2:22][CH2:18][CH2:14][CH2:10][CH2:6][CH3:2])=[O:82] |
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