| Properties | Image |
|---|
| MNX_ID | MNXM358515 |
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| reference | slm:000463359 |
| formula | C48H85O16P2 |
| global charge | -3 |
| mol weight | 980.14 |
| InChIKey | MREXWBVOPXDMCG-UCTGKDPJSA-K |
| InChI | InChI=1S/C48H88O16P2/c1-3-5-7-9-11-13-15-17-19-20-21-23-24-26-28-30-32-34-36-41(49)60-38-40(62-42(50)37-35-33-31-29-27-25-22-18-16-14-12-10-8-6-4-2)39-61-66(58,59)64-48-45(53)43(51)47(44(52)46(48)54)63-65(55,56)57/h6,8,12,14,18,22,40,43-48,51-54H,3-5,7,9-11,13,15-17,19-21,23-39H2,1-2H3,(H,58,59)(H2,55,56,57)/p-3/b8-6-,14-12-,22-18-/t40-,43-,44+,45-,46-,47+,48+/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCC)COP(=O)([O-])O[C@H]1[C@H](O)[C@@H](O)[C@H](OP(=O)([O-])[O-])[C@@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C48H88O16P2/c1-3-5-7-9-11-13-15-17-19-20-21-23-24-26-28-30-32-34-36-41(49)60-38-40(62-42(50)37-35-33-31-29-27-25-22-18-16-14-12-10-8-6-4-2)39-61-66(58,59)64-48-45(53)43(51)47(44(52)46(48)54)63-65(55,56)57/h6,8,12,14,18,22,40,43-48,51-54H,3-5,7,9-11,13,15-17,19-21,23-39H2,1-2H3,(H,58,59)(H2,55,56,57)/b8-6-,14-12-,22-18-/t40-,43-,44+,45-,46-,47+,48+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:20][CH2:21][CH2:23][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][C:41](=[O:49])[O:60][CH2:38][C@H:40]([CH2:39][O:61][P:66]([OH:58])(=[O:59])[O:64][C@H:48]1[C@H:45]([OH:53])[C@@H:43]([OH:51])[C@H:47]([O:63][P:65]([OH:55])([OH:56])=[O:57])[C@@H:44]([OH:52])[C@H:46]1[OH:54])[O:62][C:42]([CH2:37][CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:25]/[CH:22]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10]/[CH:8]=[CH:6]\[CH2:4][CH3:2])=[O:50] |
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