| Properties | Image |
|---|
| MNX_ID | MNXM335902 |
 |
| reference | slm:000462686 |
| formula | C38H69O16P2 |
| global charge | -3 |
| mol weight | 843.902 |
| InChIKey | KQTDXJMKWZXNIB-JPPMYQAPSA-K |
| InChI | InChI=1S/C38H72O16P2/c1-4-5-6-7-8-9-10-13-16-19-22-25-31(39)50-27-30(52-32(40)26-23-20-17-14-11-12-15-18-21-24-29(2)3)28-51-56(48,49)54-38-35(43)33(41)37(34(42)36(38)44)53-55(45,46)47/h7-8,29-30,33-38,41-44H,4-6,9-28H2,1-3H3,(H,48,49)(H2,45,46,47)/p-3/b8-7-/t30-,33-,34+,35-,36-,37+,38+/m1/s1 |
| SMILES | CCCC/C=C\CCCCCCCC(=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)CCCCCCCCCCCC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C38H72O16P2/c1-4-5-6-7-8-9-10-13-16-19-22-25-31(39)50-27-30(52-32(40)26-23-20-17-14-11-12-15-18-21-24-29(2)3)28-51-56(48,49)54-38-35(43)33(41)37(34(42)36(38)44)53-55(45,46)47/h7-8,29-30,33-38,41-44H,4-6,9-28H2,1-3H3,(H,48,49)(H2,45,46,47)/b8-7-/t30-,33-,34+,35-,36-,37+,38+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:5][CH2:6]/[CH:7]=[CH:8]\[CH2:9][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22][CH2:25][C:31](=[O:39])[O:50][CH2:27][C@H:30]([CH2:28][O:51][P:56]([OH:48])(=[O:49])[O:54][C@H:38]1[C@H:35]([OH:43])[C@@H:33]([OH:41])[C@H:37]([O:53][P:55]([OH:45])([OH:46])=[O:47])[C@@H:34]([OH:42])[C@H:36]1[OH:44])[O:52][C:32]([CH2:26][CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:12][CH2:15][CH2:18][CH2:21][CH2:24][CH:29]([CH3:2])[CH3:3])=[O:40] |
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