| Properties | Image |
|---|
| MNX_ID | MNXM110075 |
 |
| reference | lipidmapsM:LMGL03013904 |
| formula | C55H92O6 |
| global charge | 0 |
| mol weight | 849.335 |
| InChIKey | TZDQSXKRAVRIMS-AGYLYPCASA-N |
| InChI | InChI=1S/C55H92O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-32-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-25-23-20-17-14-11-8-5-2/h7,10,14,16-17,19,23-26,28-29,32-33,52H,4-6,8-9,11-13,15,18,20-22,27,30-31,34-51H2,1-3H3/b10-7-,17-14-,19-16-,25-23-,26-24-,29-28-,33-32-/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)CCCCCCCCCCCC)OC(=O)CCCCCCC/C=C\C/C=C\CCCC |
MNX internals
| InChI (mnx) | InChI=1/C55H92O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-32-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-25-23-20-17-14-11-8-5-2/h7,10,14,16-17,19,23-26,28-29,32-33,52H,4-6,8-9,11-13,15,18,20-22,27,30-31,34-51H2,1-3H3/b10-7-,17-14-,19-16-,25-23-,26-24-,29-28-,33-32-/t52-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:24]=[CH:26]\[CH2:27]/[CH:28]=[CH:29]\[CH2:30]/[CH:32]=[CH:33]\[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][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:56])[O:61][C:55]([CH2:49][CH2:46][CH2:43][CH2:40][CH2:37][CH2:34][CH2:31]/[CH:25]=[CH:23]\[CH2:20]/[CH:17]=[CH:14]\[CH2:11][CH2:8][CH2:5][CH3:2])=[O:58] |
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