| Properties | Image |
|---|
| MNX_ID | MNXM185305 |
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| reference | slm:000432731 |
| formula | C46H81O16P2 |
| global charge | -3 |
| mol weight | 952.086 |
| InChIKey | IJFAKEOYNJWDLV-VOWFQKTASA-K |
| InChI | InChI=1S/C46H84O16P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-26-28-30-32-34-39(47)58-36-38(60-40(48)35-33-31-29-27-24-16-14-12-10-8-6-4-2)37-59-64(56,57)62-46-43(51)41(49)42(50)45(44(46)52)61-63(53,54)55/h11,13,17-18,20-21,38,41-46,49-52H,3-10,12,14-16,19,22-37H2,1-2H3,(H,56,57)(H2,53,54,55)/p-3/b13-11-,18-17-,21-20-/t38-,41-,42-,43-,44-,45+,46-/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)CCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C46H84O16P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-26-28-30-32-34-39(47)58-36-38(60-40(48)35-33-31-29-27-24-16-14-12-10-8-6-4-2)37-59-64(56,57)62-46-43(51)41(49)42(50)45(44(46)52)61-63(53,54)55/h11,13,17-18,20-21,38,41-46,49-52H,3-10,12,14-16,19,22-37H2,1-2H3,(H,56,57)(H2,53,54,55)/b13-11-,18-17-,21-20-/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]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:18]\[CH2:19]/[CH:20]=[CH:21]\[CH2:22][CH2:23][CH2:25][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][C:39](=[O:47])[O:58][CH2:36][C@H:38]([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:42]([OH:50])[C@H:45]([O:61][P:63]([OH:53])([OH:54])=[O:55])[C@H:44]1[OH:52])[O:60][C:40]([CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:24][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:48] |
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