| Properties | Image |
|---|
| MNX_ID | MNXM338282 |
 |
| reference | slm:000462746 |
| formula | C38H69O16P2 |
| global charge | -3 |
| mol weight | 843.902 |
| InChIKey | WXASLCYDYKPMNO-WANNTCLFSA-K |
| InChI | InChI=1S/C38H72O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-32(40)52-30(28-50-31(39)26-24-22-20-18-16-14-12-10-8-6-4-2)29-51-56(48,49)54-38-35(43)33(41)37(34(42)36(38)44)53-55(45,46)47/h10,12,30,33-38,41-44H,3-9,11,13-29H2,1-2H3,(H,48,49)(H2,45,46,47)/p-3/b12-10-/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)CCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C38H72O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-32(40)52-30(28-50-31(39)26-24-22-20-18-16-14-12-10-8-6-4-2)29-51-56(48,49)54-38-35(43)33(41)37(34(42)36(38)44)53-55(45,46)47/h10,12,30,33-38,41-44H,3-9,11,13-29H2,1-2H3,(H,48,49)(H2,45,46,47)/b12-10-/t30-,33-,34+,35-,36-,37+,38+/m1/s1 |
 |
| 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][C:32](=[O:40])[O:52][C@H:30]([CH2:28][O:50][C:31]([CH2:26][CH2:24][CH2:22][CH2:20][CH2:18][CH2:16][CH2:14]/[CH:12]=[CH:10]\[CH2:8][CH2:6][CH2:4][CH3:2])=[O:39])[CH2:29][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] |
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