| Properties | Image |
|---|
| MNX_ID | MNXM159918 |
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| reference | slm:000508932 |
| formula | C40H79NO12P |
| global charge | -1 |
| mol weight | 797.041 |
| InChIKey | JMFVHCDWSIWIQH-SKKLWFJZSA-M |
| InChI | InChI=1S/C40H80NO12P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(43)41-31(30-52-54(50,51)53-40-38(48)36(46)35(45)37(47)39(40)49)34(44)32(42)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31-32,34-40,42,44-49H,3-30H2,1-2H3,(H,41,43)(H,50,51)/p-1/t31-,32+,34-,35-,36-,37+,38+,39+,40-/m0/s1 |
| SMILES | CCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C40H80NO12P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(43)41-31(30-52-54(50,51)53-40-38(48)36(46)35(45)37(47)39(40)49)34(44)32(42)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31-32,34-40,42,44-49H,3-30H2,1-2H3,(H,41,43)(H,50,51)/t31-,32+,34-,35-,36-,37+,38+,39+,40-/m0/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][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][C:33](=[N:41][C@@H:31]([CH2:30][O:52][P:54]([OH:50])(=[O:51])[O:53][C@H:40]1[C@H:38]([OH:48])[C@@H:36]([OH:46])[C@H:35]([OH:45])[C@@H:37]([OH:47])[C@H:39]1[OH:49])[C@@H:34]([C@@H:32]([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])[OH:42])[OH:44])[OH:43] |
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