| Properties | Image |
|---|
| MNX_ID | MNXM353178 |
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| reference | slm:000025905 |
| formula | C53H93O8P |
| global charge | -2 |
| mol weight | 889.293 |
| InChIKey | ITGXORJVORKJGW-RELFJRPPSA-L |
| InChI | InChI=1S/C53H95O8P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-32-34-36-38-40-42-44-46-48-53(55)61-51(50-60-62(56,57)58)49-59-52(54)47-45-43-41-39-37-35-33-31-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,22-23,25-26,28-29,51H,3-10,12,14-16,18,20-21,24,27,30-50H2,1-2H3,(H2,56,57,58)/p-2/b13-11-,19-17-,23-22-,26-25-,29-28-/t51-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCC)COP(=O)([O-])[O-] |
MNX internals
| InChI (mnx) | InChI=1/C53H95O8P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-32-34-36-38-40-42-44-46-48-53(55)61-51(50-60-62(56,57)58)49-59-52(54)47-45-43-41-39-37-35-33-31-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,22-23,25-26,28-29,51H,3-10,12,14-16,18,20-21,24,27,30-50H2,1-2H3,(H2,56,57,58)/b13-11-,19-17-,23-22-,26-25-,29-28-/t51-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:19]\[CH2:21]/[CH:22]=[CH:23]\[CH2:24]/[CH:25]=[CH:26]\[CH2:27]/[CH:28]=[CH:29]\[CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][C:53](=[O:55])[O:61][C@H:51]([CH2:49][O:59][C:52]([CH2:47][CH2:45][CH2:43][CH2:41][CH2:39][CH2:37][CH2:35][CH2:33][CH2:31][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:54])[CH2:50][O:60][P:62]([OH:56])([OH:57])=[O:58] |
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