| Properties | Image |
|---|
| MNX_ID | MNXM188595 |
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| reference | slm:000452074 |
| formula | C43H81O16P2 |
| global charge | -3 |
| mol weight | 916.053 |
| InChIKey | QNGIXCHRUVVQPA-FGTWXCDUSA-K |
| InChI | InChI=1S/C43H84O16P2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-25-28-31-37(45)57-35(32-55-36(44)30-27-24-22-19-20-23-26-29-34(2)3)33-56-61(53,54)59-43-40(48)38(46)39(47)42(41(43)49)58-60(50,51)52/h34-35,38-43,46-49H,4-33H2,1-3H3,(H,53,54)(H2,50,51,52)/p-3/t35-,38+,39+,40-,41-,42-,43+/m1/s1 |
| SMILES | CCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCC(C)C)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/C43H84O16P2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-25-28-31-37(45)57-35(32-55-36(44)30-27-24-22-19-20-23-26-29-34(2)3)33-56-61(53,54)59-43-40(48)38(46)39(47)42(41(43)49)58-60(50,51)52/h34-35,38-43,46-49H,4-33H2,1-3H3,(H,53,54)(H2,50,51,52)/t35-,38+,39+,40-,41-,42-,43+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:21][CH2:25][CH2:28][CH2:31][C:37](=[O:45])[O:57][C@H:35]([CH2:32][O:55][C:36]([CH2:30][CH2:27][CH2:24][CH2:22][CH2:19][CH2:20][CH2:23][CH2:26][CH2:29][CH:34]([CH3:2])[CH3:3])=[O:44])[CH2:33][O:56][P:61]([OH:53])(=[O:54])[O:59][C@H:43]1[C@H:40]([OH:48])[C@@H:38]([OH:46])[C@H:39]([OH:47])[C@@H:42]([O:58][P:60]([OH:50])([OH:51])=[O:52])[C@H:41]1[OH:49] |
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