| Properties | Image |
|---|
| MNX_ID | MNXM191137 |
 |
| reference | slm:000439172 |
| formula | C43H75O22P4 |
| global charge | -7 |
| mol weight | 1067.947 |
| InChIKey | BVMKCIPONCVIJR-PEOYVKDQSA-G |
| InChI | InChI=1S/C43H82O22P4/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(44)59-33-35(61-37(45)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2)34-60-69(57,58)65-40-38(46)41(62-66(48,49)50)43(64-68(54,55)56)42(39(40)47)63-67(51,52)53/h13,15,22,24,35,38-43,46-47H,3-12,14,16-21,23,25-34H2,1-2H3,(H,57,58)(H2,48,49,50)(H2,51,52,53)(H2,54,55,56)/p-7/b15-13+,24-22-/t35-,38+,39+,40-,41+,42-,43-/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](OP(=O)([O-])[O-])[C@@H](OP(=O)([O-])[O-])[C@H]1O)OC(=O)CCCC/C=C\CCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C43H82O22P4/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(44)59-33-35(61-37(45)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2)34-60-69(57,58)65-40-38(46)41(62-66(48,49)50)43(64-68(54,55)56)42(39(40)47)63-67(51,52)53/h13,15,22,24,35,38-43,46-47H,3-12,14,16-21,23,25-34H2,1-2H3,(H,57,58)(H2,48,49,50)(H2,51,52,53)(H2,54,55,56)/b15-13+,24-22-/t35-,38+,39+,40-,41+,42-,43-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11]/[CH:13]=[CH:15]/[CH2:17][CH2:18][CH2:20][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][C:36](=[O:44])[O:59][CH2:33][C@H:35]([CH2:34][O:60][P:69]([OH:57])(=[O:58])[O:65][C@@H:40]1[C@H:38]([OH:46])[C@H:41]([O:62][P:66]([OH:48])([OH:49])=[O:50])[C@@H:43]([O:64][P:68]([OH:54])([OH:55])=[O:56])[C@H:42]([O:63][P:67]([OH:51])([OH:52])=[O:53])[C@H:39]1[OH:47])[O:61][C:37]([CH2:32][CH2:30][CH2:28][CH2:26]/[CH:24]=[CH:22]\[CH2:19][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:45] |
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