| Properties | Image |
|---|
| MNX_ID | MNXM51135 |
 |
| reference | metacycM:CPD66-45 |
| formula | C41H78O13P |
| global charge | -1 |
| mol weight | 810.036 |
| InChIKey | IBUKXRINTKQBRQ-UTWKUMGCSA-M |
| InChI | InChI=1S/C41H79O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(42)51-31-33(32-52-55(49,50)54-41-39(47)37(45)36(44)38(46)40(41)48)53-35(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33,36-41,44-48H,3-32H2,1-2H3,(H,49,50)/p-1/t33-,36-,37-,38+,39+,40+,41-/m0/s1 |
| SMILES | CCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C41H79O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(42)51-31-33(32-52-55(49,50)54-41-39(47)37(45)36(44)38(46)40(41)48)53-35(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33,36-41,44-48H,3-32H2,1-2H3,(H,49,50)/t33-,36-,37-,38+,39+,40+,41-/m0/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][CH2:29][C:34](=[O:42])[O:51][CH2:31][C@@H:33]([CH2:32][O:52][P:55]([OH:49])(=[O:50])[O:54][C@H:41]1[C@H:39]([OH:47])[C@@H:37]([OH:45])[C@H:36]([OH:44])[C@@H:38]([OH:46])[C@H:40]1[OH:48])[O:53][C:35]([CH2:30][CH2:28][CH2:26][CH2:24][CH2:22][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:43] |
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