| Properties | Image |
|---|
| MNX_ID | MNXM1053419 |
 |
| reference | slm:000745819 |
| formula | C41H71N3O15P2 |
| global charge | -2 |
| mol weight | 907.973 |
| InChIKey | AQMABBSVYUZRRI-PLNUBGIXSA-L |
| InChI | InChI=1S/C41H73N3O15P2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-37(46)57-33(30-54-36(45)4-2)31-55-60(50,51)59-61(52,53)56-32-34-38(47)39(48)40(58-34)44-29-28-35(42)43-41(44)49/h11-12,28-29,33-34,38-40,47-48H,3-10,13-27,30-32H2,1-2H3,(H,50,51)(H,52,53)(H2,42,43,49)/p-2/b12-11-/t33-,34-,38-,39-,40-/m1/s1 |
| SMILES | CCCCCCCC/C=C\CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C41H73N3O15P2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-37(46)57-33(30-54-36(45)4-2)31-55-60(50,51)59-61(52,53)56-32-34-38(47)39(48)40(58-34)44-29-28-35(42)43-41(44)49/h11-12,28-29,33-34,38-40,47-48H,3-10,13-27,30-32H2,1-2H3,(H,50,51)(H,52,53)(H2,42,43,49)/b12-11-/t33-,34-,38-,39-,40-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10]/[CH:11]=[CH:12]\[CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][C:37](=[O:46])[O:57][C@H:33]([CH2:30][O:54][C:36]([CH2:4][CH3:2])=[O:45])[CH2:31][O:55][P:60]([OH:50])(=[O:51])[O:59][P:61]([OH:52])(=[O:53])[O:56][CH2:32][C@@H:34]1[C@@H:38]([OH:47])[C@@H:39]([OH:48])[C@H:40]([N:44]2[CH:29]=[CH:28][C:35](=[NH:42])[N:43]=[C:41]2[OH:49])[O:58]1 |
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