| Properties | Image |
|---|
| MNX_ID | MNXM192631 |
 |
| reference | slm:000426406 |
| formula | C46H84O19P3 |
| global charge | -5 |
| mol weight | 1034.081 |
| InChIKey | OKNKAPHBZGAWCQ-CHMTXHGESA-I |
| InChI | InChI=1S/C46H89O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-40(48)62-38(36-60-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-61-68(58,59)65-44-41(49)42(50)45(63-66(52,53)54)46(43(44)51)64-67(55,56)57/h14,16,38,41-46,49-51H,3-13,15,17-37H2,1-2H3,(H,58,59)(H2,52,53,54)(H2,55,56,57)/p-5/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](OP(=O)([O-])[O-])[C@H]1O)OC(=O)CCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C46H89O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-40(48)62-38(36-60-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-61-68(58,59)65-44-41(49)42(50)45(63-66(52,53)54)46(43(44)51)64-67(55,56)57/h14,16,38,41-46,49-51H,3-13,15,17-37H2,1-2H3,(H,58,59)(H2,52,53,54)(H2,55,56,57)/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:62][C@H:38]([CH2:36][O:60][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:61][P:68]([OH:58])(=[O:59])[O:65][C@H:44]1[C@H:41]([OH:49])[C@@H:42]([OH:50])[C@H:45]([O:63][P:66]([OH:52])([OH:53])=[O:54])[C@@H:46]([O:64][P:67]([OH:55])([OH:56])=[O:57])[C@H:43]1[OH:51] |
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