| Properties | Image |
|---|
| MNX_ID | MNXM220248 |
 |
| reference | slm:000015537 |
| formula | C47H82O13P |
| global charge | -1 |
| mol weight | 886.134 |
| InChIKey | NJMKEKHOZBKFOE-ATMFZAPBSA-M |
| InChI | InChI=1S/C47H83O13P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-40(48)57-37-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)59-41(49)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2/h8,10-11,13-14,16-18,39,42-47,50-54H,3-7,9,12,15,19-38H2,1-2H3,(H,55,56)/p-1/b10-8-,13-11-,16-14-,18-17-/t39-,42-,43-,44+,45-,46-,47-/m1/s1 |
| SMILES | CCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C47H83O13P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-40(48)57-37-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)59-41(49)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2/h8,10-11,13-14,16-18,39,42-47,50-54H,3-7,9,12,15,19-38H2,1-2H3,(H,55,56)/b10-8-,13-11-,16-14-,18-17-/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:17]=[CH:18]\[CH2:19][CH2:20][CH2:21][CH2:22][CH2:24][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][C:40](=[O:48])[O:57][CH2:37][C@H:39]([CH2:38][O:58][P:61]([OH:55])(=[O:56])[O:60][C@@H:47]1[C@H:45]([OH:53])[C@H:43]([OH:51])[C@@H:42]([OH:50])[C@H:44]([OH:52])[C@H:46]1[OH:54])[O:59][C:41]([CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:23]/[CH:16]=[CH:14]\[CH2:12]/[CH:10]=[CH:8]\[CH2:6][CH2:4][CH3:2])=[O:49] |
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