| Properties | Image |
|---|
| MNX_ID | MNXM234946 |
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| reference | slm:000038353 |
| formula | C48H84O10P |
| global charge | -1 |
| mol weight | 852.164 |
| InChIKey | JGZCICOFPCPKSK-YLCTWDHFSA-M |
| InChI | InChI=1S/C48H85O10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-27-29-31-33-35-37-39-47(51)55-43-46(44-57-59(53,54)56-42-45(50)41-49)58-48(52)40-38-36-34-32-30-28-25-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-19,25,30,32,45-46,49-50H,3-5,7,9-11,13,15-16,20-24,26-29,31,33-44H2,1-2H3,(H,53,54)/p-1/b8-6-,14-12-,19-17-,25-18-,32-30-/t45-,46+/m0/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)COP(=O)([O-])OC[C@@H](O)CO |
MNX internals
| InChI (mnx) | InChI=1/C48H85O10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-27-29-31-33-35-37-39-47(51)55-43-46(44-57-59(53,54)56-42-45(50)41-49)58-48(52)40-38-36-34-32-30-28-25-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-19,25,30,32,45-46,49-50H,3-5,7,9-11,13,15-16,20-24,26-29,31,33-44H2,1-2H3,(H,53,54)/b8-6-,14-12-,19-17-,25-18-,32-30-/t45-,46+/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15]/[CH:17]=[CH:19]\[CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:26][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][C:47](=[O:51])[O:55][CH2:43][C@H:46]([CH2:44][O:57][P:59]([OH:53])(=[O:54])[O:56][CH2:42][C@H:45]([CH2:41][OH:49])[OH:50])[O:58][C:48]([CH2:40][CH2:38][CH2:36][CH2:34]/[CH:32]=[CH:30]\[CH2:28]/[CH:25]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10]/[CH:8]=[CH:6]\[CH2:4][CH3:2])=[O:52] |
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