| Properties | Image |
|---|
| MNX_ID | MNXM288025 |
 |
| reference | slm:000448694 |
| formula | C40H72O19P3 |
| global charge | -5 |
| mol weight | 949.919 |
| InChIKey | IMPTXPBBKRAJPH-RAUXFOGWSA-I |
| InChI | InChI=1S/C40H77O19P3/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-21-24-27-33(41)54-29-32(56-34(42)28-25-22-19-16-17-20-23-26-31(2)3)30-55-62(52,53)59-40-36(44)38(57-60(46,47)48)35(43)39(37(40)45)58-61(49,50)51/h14-15,31-32,35-40,43-45H,4-13,16-30H2,1-3H3,(H,52,53)(H2,46,47,48)(H2,49,50,51)/p-5/b15-14-/t32-,35-,36-,37-,38-,39+,40-/m1/s1 |
| SMILES | CCCCCCCCCCC/C=C\CCCCC(=O)OC[C@H](COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](OP(=O)([O-])[O-])[C@@H](O)[C@H](OP(=O)([O-])[O-])[C@H]1O)OC(=O)CCCCCCCCCC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C40H77O19P3/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-21-24-27-33(41)54-29-32(56-34(42)28-25-22-19-16-17-20-23-26-31(2)3)30-55-62(52,53)59-40-36(44)38(57-60(46,47)48)35(43)39(37(40)45)58-61(49,50)51/h14-15,31-32,35-40,43-45H,4-13,16-30H2,1-3H3,(H,52,53)(H2,46,47,48)(H2,49,50,51)/b15-14-/t32-,35-,36-,37-,38-,39+,40-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13]/[CH:14]=[CH:15]\[CH2:18][CH2:21][CH2:24][CH2:27][C:33](=[O:41])[O:54][CH2:29][C@H:32]([CH2:30][O:55][P:62]([OH:52])(=[O:53])[O:59][C@@H:40]1[C@H:36]([OH:44])[C@H:38]([O:57][P:60]([OH:46])([OH:47])=[O:48])[C@@H:35]([OH:43])[C@H:39]([O:58][P:61]([OH:49])([OH:50])=[O:51])[C@H:37]1[OH:45])[O:56][C:34]([CH2:28][CH2:25][CH2:22][CH2:19][CH2:16][CH2:17][CH2:20][CH2:23][CH2:26][CH:31]([CH3:2])[CH3:3])=[O:42] |
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