| Properties | Image |
|---|
| MNX_ID | MNXM159919 |
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| reference | slm:000508946 |
| formula | C42H83NO13P |
| global charge | -1 |
| mol weight | 841.094 |
| InChIKey | AMWWBFKMGRZXRQ-RKUOCKLNSA-M |
| InChI | InChI=1S/C42H84NO13P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-34(45)42(52)43-32(31-55-57(53,54)56-41-39(50)37(48)36(47)38(49)40(41)51)35(46)33(44)29-27-25-23-21-19-16-14-12-10-8-6-4-2/h32-41,44-51H,3-31H2,1-2H3,(H,43,52)(H,53,54)/p-1/t32-,33+,34?,35-,36-,37-,38+,39+,40+,41-/m0/s1 |
| SMILES | CCCCCCCCCCCCCCCCC(O)C(=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/C42H84NO13P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-34(45)42(52)43-32(31-55-57(53,54)56-41-39(50)37(48)36(47)38(49)40(41)51)35(46)33(44)29-27-25-23-21-19-16-14-12-10-8-6-4-2/h32-41,44-51H,3-31H2,1-2H3,(H,43,52)(H,53,54)/t32-,33+,34?,35-,36-,37-,38+,39+,40+,41-/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][CH2:18][CH2:20][CH2:22][CH2:24][CH2:26][CH2:28][CH2:30][CH:34]([C:42](=[N:43][C@@H:32]([CH2:31][O:55][P:57]([OH:53])(=[O:54])[O:56][C@H:41]1[C@H:39]([OH:50])[C@@H:37]([OH:48])[C@H:36]([OH:47])[C@@H:38]([OH:49])[C@H:40]1[OH:51])[C@@H:35]([C@@H:33]([CH2:29][CH2:27][CH2:25][CH2:23][CH2:21][CH2:19][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:44])[OH:46])[OH:52])[OH:45] |
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