| Properties | Image |
|---|
| MNX_ID | MNXM112568 |
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| reference | lipidmapsM:LMGL03016114 |
| formula | C59H108O6 |
| global charge | 0 |
| mol weight | 913.507 |
| InChIKey | LKSAYSFHDLQQMV-YKJYRAIISA-N |
| InChI | InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-29-26-23-20-17-14-11-8-5-2/h15,18,24,27,29,31,56H,4-14,16-17,19-23,25-26,28,30,32-55H2,1-3H3/b18-15-,27-24-,31-29-/t56-/m1/s1 |
| SMILES | CCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C59H108O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-29-26-23-20-17-14-11-8-5-2/h15,18,24,27,29,31,56H,4-14,16-17,19-23,25-26,28,30,32-55H2,1-3H3/b18-15-,27-24-,31-29-/t56-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22][CH2:25][CH2:28][CH2:30][CH2:32][CH2:34][CH2:37][CH2:40][CH2:43][CH2:46][CH2:49][CH2:52][C:58](=[O:61])[O:64][CH2:55][C@@H:56]([CH2:54][O:63][C:57]([CH2:51][CH2:48][CH2:45][CH2:42][CH2:39][CH2:36][CH2:33]/[CH:27]=[CH:24]\[CH2:21]/[CH:18]=[CH:15]\[CH2:12][CH2:9][CH2:6][CH3:3])=[O:60])[O:65][C:59]([CH2:53][CH2:50][CH2:47][CH2:44][CH2:41][CH2:38][CH2:35]/[CH:31]=[CH:29]\[CH2:26][CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:62] |
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