| Properties | Image |
|---|
| MNX_ID | MNXM111345 |
 |
| reference | lipidmapsM:LMGL03015003 |
| formula | C55H94O6 |
| global charge | 0 |
| mol weight | 851.351 |
| InChIKey | XOQMIXQPIOFAOS-NOMZZCAXSA-N |
| InChI | InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-33-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-26,28-29,31,34,52H,4-6,8-9,11-15,17,20,22-24,27,30,32-33,35-51H2,1-3H3/b10-7-,19-16-,21-18-,26-25-,29-28-,34-31-/t52-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C55H94O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-33-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-26,28-29,31,34,52H,4-6,8-9,11-15,17,20,22-24,27,30,32-33,35-51H2,1-3H3/b10-7-,19-16-,21-18-,26-25-,29-28-,34-31-/t52-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:26]\[CH2:27]/[CH:28]=[CH:29]\[CH2:30]/[CH:31]=[CH:34]\[CH2:36][CH2:39][CH2:42][CH2:45][CH2:48][C:54](=[O:57])[O:60][CH2:51][C@@H:52]([CH2:50][O:59][C:53]([CH2:47][CH2:44][CH2:41][CH2:38][CH2:35][CH2:32][CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:56])[O:61][C:55]([CH2:49][CH2:46][CH2:43][CH2:40][CH2:37][CH2:33][CH2:24]/[CH:21]=[CH:18]\[CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:58] |
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