| Properties | Image |
|---|
| MNX_ID | MNXM113449 |
 |
| reference | lipidmapsM:LMGL03016851 |
| formula | C67H112O6 |
| global charge | 0 |
| mol weight | 1013.627 |
| InChIKey | SHQHESJYGBIKMP-MNQZTVRLSA-N |
| InChI | InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,30,32-34,36,38,41,47,50,64H,4-8,10-11,13-15,17,20,22-24,26,29,31,35,37,39-40,42-46,48-49,51-63H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,30-27-,34-32-,36-33-,41-38-,50-47-/t64-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](COC(=O)CCCCCCCC/C=C\C/C=C\C/C=C\CCCCC)OC(=O)CCCCCCCCC/C=C\CCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C67H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,30,32-34,36,38,41,47,50,64H,4-8,10-11,13-15,17,20,22-24,26,29,31,35,37,39-40,42-46,48-49,51-63H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,30-27-,34-32-,36-33-,41-38-,50-47-/t64-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:28]\[CH2:31]/[CH:33]=[CH:36]\[CH2:39][CH2:42][CH2:45][CH2:48][CH2:51][CH2:54][CH2:57][CH2:60][C:66](=[O:69])[O:72][CH2:63][C@@H:64]([CH2:62][O:71][C:65]([CH2:59][CH2:56][CH2:53]/[CH:50]=[CH:47]\[CH2:44]/[CH:41]=[CH:38]\[CH2:35]/[CH:30]=[CH:27]\[CH2:24]/[CH:21]=[CH:18]\[CH2:15]/[CH:12]=[CH:9]\[CH2:6][CH3:3])=[O:68])[O:73][C:67]([CH2:61][CH2:58][CH2:55][CH2:52][CH2:49][CH2:46][CH2:43][CH2:40][CH2:37]/[CH:34]=[CH:32]\[CH2:29][CH2:26][CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:70] |
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