| Properties | Image |
|---|
| MNX_ID | MNXM159920 |
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| reference | slm:000508933 |
| formula | C42H83NO12P |
| global charge | -1 |
| mol weight | 825.095 |
| InChIKey | AIHGLHCMQQPRQQ-TVZOHRITSA-M |
| InChI | InChI=1S/C42H84NO12P/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-35(45)43-33(32-54-56(52,53)55-42-40(50)38(48)37(47)39(49)41(42)51)36(46)34(44)30-28-26-24-22-20-16-14-12-10-8-6-4-2/h33-34,36-42,44,46-51H,3-32H2,1-2H3,(H,43,45)(H,52,53)/p-1/t33-,34+,36-,37-,38-,39+,40+,41+,42-/m0/s1 |
| SMILES | CCCCCCCCCCCCCCCCCC(=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/C42H84NO12P/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-35(45)43-33(32-54-56(52,53)55-42-40(50)38(48)37(47)39(49)41(42)51)36(46)34(44)30-28-26-24-22-20-16-14-12-10-8-6-4-2/h33-34,36-42,44,46-51H,3-32H2,1-2H3,(H,43,45)(H,52,53)/t33-,34+,36-,37-,38-,39+,40+,41+,42-/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][CH2:19][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][C:35](=[N:43][C@@H:33]([CH2:32][O:54][P:56]([OH:52])(=[O:53])[O:55][C@H:42]1[C@H:40]([OH:50])[C@@H:38]([OH:48])[C@H:37]([OH:47])[C@@H:39]([OH:49])[C@H:41]1[OH:51])[C@@H:36]([C@@H:34]([CH2:30][CH2:28][CH2:26][CH2:24][CH2:22][CH2:20][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:44])[OH:46])[OH:45] |
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