| Properties | Image |
|---|
| MNX_ID | MNXM215012 |
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| reference | slm:000446385 |
| formula | C41H76O19P3 |
| global charge | -5 |
| mol weight | 965.962 |
| InChIKey | TUMYGMUFBYKKMB-LNNNXZRXSA-I |
| InChI | InChI=1S/C41H81O19P3/c1-4-5-6-7-8-9-10-11-12-13-16-20-23-26-29-35(43)57-33(30-55-34(42)28-25-22-19-17-14-15-18-21-24-27-32(2)3)31-56-63(53,54)60-41-37(45)39(58-61(47,48)49)36(44)40(38(41)46)59-62(50,51)52/h32-33,36-41,44-46H,4-31H2,1-3H3,(H,53,54)(H2,47,48,49)(H2,50,51,52)/p-5/t33-,36-,37-,38-,39-,40+,41-/m1/s1 |
| SMILES | CCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCC(C)C)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 |
MNX internals
| InChI (mnx) | InChI=1/C41H81O19P3/c1-4-5-6-7-8-9-10-11-12-13-16-20-23-26-29-35(43)57-33(30-55-34(42)28-25-22-19-17-14-15-18-21-24-27-32(2)3)31-56-63(53,54)60-41-37(45)39(58-61(47,48)49)36(44)40(38(41)46)59-62(50,51)52/h32-33,36-41,44-46H,4-31H2,1-3H3,(H,53,54)(H2,47,48,49)(H2,50,51,52)/t33-,36-,37-,38-,39-,40+,41-/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][CH2:16][CH2:20][CH2:23][CH2:26][CH2:29][C:35](=[O:43])[O:57][C@H:33]([CH2:30][O:55][C:34]([CH2:28][CH2:25][CH2:22][CH2:19][CH2:17][CH2:14][CH2:15][CH2:18][CH2:21][CH2:24][CH2:27][CH:32]([CH3:2])[CH3:3])=[O:42])[CH2:31][O:56][P:63]([OH:53])(=[O:54])[O:60][C@@H:41]1[C@H:37]([OH:45])[C@H:39]([O:58][P:61]([OH:47])([OH:48])=[O:49])[C@@H:36]([OH:44])[C@H:40]([O:59][P:62]([OH:50])([OH:51])=[O:52])[C@H:38]1[OH:46] |
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