| Properties | Image |
|---|
| MNX_ID | MNXM208891 |
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| reference | slm:000433354 |
| formula | C48H89O16P2 |
| global charge | -3 |
| mol weight | 984.172 |
| InChIKey | USNCIXARIHBLGQ-GCGOFVHUSA-K |
| InChI | InChI=1S/C48H92O16P2/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-37-42(50)62-40(38-60-41(49)36-34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2)39-61-66(58,59)64-48-45(53)43(51)44(52)47(46(48)54)63-65(55,56)57/h14,16,40,43-48,51-54H,3-13,15,17-39H2,1-2H3,(H,58,59)(H2,55,56,57)/p-3/b16-14-/t40-,43-,44-,45-,46-,47+,48-/m1/s1 |
| SMILES | CCCCCC/C=C\CCCCCCCCCC(=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)CCCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C48H92O16P2/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-37-42(50)62-40(38-60-41(49)36-34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2)39-61-66(58,59)64-48-45(53)43(51)44(52)47(46(48)54)63-65(55,56)57/h14,16,40,43-48,51-54H,3-13,15,17-39H2,1-2H3,(H,58,59)(H2,55,56,57)/b16-14-/t40-,43-,44-,45-,46-,47+,48-/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][CH2:20][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][C:42](=[O:50])[O:62][C@H:40]([CH2:38][O:60][C:41]([CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:22][CH2:18]/[CH:16]=[CH:14]\[CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:49])[CH2:39][O:61][P:66]([OH:58])(=[O:59])[O:64][C@@H:48]1[C@H:45]([OH:53])[C@H:43]([OH:51])[C@@H:44]([OH:52])[C@H:47]([O:63][P:65]([OH:55])([OH:56])=[O:57])[C@H:46]1[OH:54] |
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