| Properties | Image |
|---|
| MNX_ID | MNXM112372 |
 |
| reference | lipidmapsM:LMGL03015935 |
| formula | C57H100O6 |
| global charge | 0 |
| mol weight | 881.421 |
| InChIKey | COXWELDQHBTJLV-YJVZUZFMSA-N |
| InChI | InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28-30,36,39,54H,4-7,9-10,12-16,18-19,21-25,27,31-35,37-38,40-53H2,1-3H3/b11-8-,20-17-,29-26-,30-28-,39-36-/t54-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C57H100O6/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28-30,36,39,54H,4-7,9-10,12-16,18-19,21-25,27,31-35,37-38,40-53H2,1-3H3/b11-8-,20-17-,29-26-,30-28-,39-36-/t54-/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]/[CH:28]=[CH:30]\[CH2:32][CH2:35][CH2:38][CH2:41][CH2:44][CH2:47][CH2:50][C:56](=[O:59])[O:62][CH2:53][C@@H:54]([CH2:52][O:61][C:55]([CH2:49][CH2:46][CH2:43][CH2:40][CH2:37][CH2:34][CH2:31][CH2:27][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:58])[O:63][C:57]([CH2:51][CH2:48][CH2:45][CH2:42]/[CH:39]=[CH:36]\[CH2:33]/[CH:29]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14]/[CH:11]=[CH:8]\[CH2:5][CH3:2])=[O:60] |
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