| Properties | Image |
|---|
| MNX_ID | MNXM317421 |
 |
| reference | slm:000455859 |
| formula | C47H79O16P2 |
| global charge | -3 |
| mol weight | 962.081 |
| InChIKey | PYWKBJXYEGVVJD-DZMWFQHQSA-K |
| InChI | InChI=1S/C47H82O16P2/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-26-27-29-31-33-35-40(48)59-37-39(61-41(49)36-34-32-30-28-25-14-12-10-8-6-4-2)38-60-65(57,58)63-47-44(52)42(50)43(51)46(45(47)53)62-64(54,55)56/h10-13,16-17,19-20,22-23,39,42-47,50-53H,3-9,14-15,18,21,24-38H2,1-2H3,(H,57,58)(H2,54,55,56)/p-3/b12-10-,13-11-,17-16-,20-19-,23-22-/t39-,42+,43+,44-,45-,46-,47+/m1/s1 |
| SMILES | CCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](OP(=O)([O-])[O-])[C@@H](O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C47H82O16P2/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-26-27-29-31-33-35-40(48)59-37-39(61-41(49)36-34-32-30-28-25-14-12-10-8-6-4-2)38-60-65(57,58)63-47-44(52)42(50)43(51)46(45(47)53)62-64(54,55)56/h10-13,16-17,19-20,22-23,39,42-47,50-53H,3-9,14-15,18,21,24-38H2,1-2H3,(H,57,58)(H2,54,55,56)/b12-10-,13-11-,17-16-,20-19-,23-22-/t39-,42+,43+,44-,45-,46-,47+/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:16]=[CH:17]\[CH2:18]/[CH:19]=[CH:20]\[CH2:21]/[CH:22]=[CH:23]\[CH2:24][CH2:26][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][C:40](=[O:48])[O:59][CH2:37][C@H:39]([CH2:38][O:60][P:65]([OH:57])(=[O:58])[O:63][C@H:47]1[C@H:44]([OH:52])[C@@H:42]([OH:50])[C@H:43]([OH:51])[C@@H:46]([O:62][P:64]([OH:54])([OH:55])=[O:56])[C@H:45]1[OH:53])[O:61][C:41]([CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][CH2:25][CH2:14]/[CH:12]=[CH:10]\[CH2:8][CH2:6][CH2:4][CH3:2])=[O:49] |
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