| Properties | Image |
|---|
| MNX_ID | MNXM183589 |
 |
| reference | slm:000451893 |
| formula | C47H81O16P2 |
| global charge | -3 |
| mol weight | 964.097 |
| InChIKey | OVUFSADHYJXGLC-BQRQLSSNSA-K |
| InChI | InChI=1S/C47H84O16P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-40(48)59-37-39(61-41(49)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2)38-60-65(57,58)63-47-44(52)42(50)43(51)46(45(47)53)62-64(54,55)56/h11,13,17-18,20-21,26,28,39,42-47,50-53H,3-10,12,14-16,19,22-25,27,29-38H2,1-2H3,(H,57,58)(H2,54,55,56)/p-3/b13-11-,18-17-,21-20-,28-26-/t39-,42+,43+,44-,45-,46-,47+/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)OC[C@H](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)OC(=O)CCCC/C=C\CCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C47H84O16P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-40(48)59-37-39(61-41(49)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2)38-60-65(57,58)63-47-44(52)42(50)43(51)46(45(47)53)62-64(54,55)56/h11,13,17-18,20-21,26,28,39,42-47,50-53H,3-10,12,14-16,19,22-25,27,29-38H2,1-2H3,(H,57,58)(H2,54,55,56)/b13-11-,18-17-,21-20-,28-26-/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]/[CH:20]=[CH:21]\[CH2:22][CH2:24][CH2:25][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]/[CH:28]=[CH:26]\[CH2:23][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:49] |
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