| Properties | Image |
|---|
| MNX_ID | MNXM192635 |
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| reference | slm:000458397 |
| formula | C46H85O16P2 |
| global charge | -3 |
| mol weight | 956.118 |
| InChIKey | GZXUOQUZQWVRDN-QOTMIWGVSA-K |
| InChI | InChI=1S/C46H88O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-40(48)60-38(36-58-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-59-64(56,57)62-46-43(51)41(49)45(42(50)44(46)52)61-63(53,54)55/h14,16,38,41-46,49-52H,3-13,15,17-37H2,1-2H3,(H,56,57)(H2,53,54,55)/p-3/b16-14+/t38-,41-,42+,43-,44-,45+,46+/m1/s1 |
| SMILES | CCCCCC/C=C/CCCCCCCCCC(=O)OC[C@H](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)OC(=O)CCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C46H88O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-40(48)60-38(36-58-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-59-64(56,57)62-46-43(51)41(49)45(42(50)44(46)52)61-63(53,54)55/h14,16,38,41-46,49-52H,3-13,15,17-37H2,1-2H3,(H,56,57)(H2,53,54,55)/b16-14+/t38-,41-,42+,43-,44-,45+,46+/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][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][C:40](=[O:48])[O:60][C@H:38]([CH2:36][O:58][C:39]([CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:22][CH2:20][CH2:18]/[CH:16]=[CH:14]/[CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:47])[CH2:37][O:59][P:64]([OH:56])(=[O:57])[O:62][C@H:46]1[C@H:43]([OH:51])[C@@H:41]([OH:49])[C@H:45]([O:61][P:63]([OH:53])([OH:54])=[O:55])[C@@H:42]([OH:50])[C@H:44]1[OH:52] |
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