| Properties | Image |
|---|
| MNX_ID | MNXM1049953 |
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| reference | slm:000742353 |
| formula | C32H51N3O15P2 |
| global charge | -2 |
| mol weight | 779.714 |
| InChIKey | MJMBCCCXMDORHZ-WDVXPJJPSA-L |
| InChI | InChI=1S/C32H53N3O15P2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-28(37)45-21-25(48-24(2)36)22-46-51(41,42)50-52(43,44)47-23-26-29(38)30(39)31(49-26)35-20-19-27(33)34-32(35)40/h8-11,19-20,25-26,29-31,38-39H,3-7,12-18,21-23H2,1-2H3,(H,41,42)(H,43,44)(H2,33,34,40)/p-2/b9-8+,11-10-/t25-,26-,29-,30-,31-/m1/s1 |
| SMILES | CCCCCC/C=C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O)OC(C)=O |
MNX internals
| InChI (mnx) | InChI=1/C32H53N3O15P2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-28(37)45-21-25(48-24(2)36)22-46-51(41,42)50-52(43,44)47-23-26-29(38)30(39)31(49-26)35-20-19-27(33)34-32(35)40/h8-11,19-20,25-26,29-31,38-39H,3-7,12-18,21-23H2,1-2H3,(H,41,42)(H,43,44)(H2,33,34,40)/b9-8+,11-10-/t25-,26-,29-,30-,31-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7]/[CH:8]=[CH:9]/[CH:10]=[CH:11]\[CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][C:28](=[O:37])[O:45][CH2:21][C@H:25]([CH2:22][O:46][P:51]([OH:41])(=[O:42])[O:50][P:52]([OH:43])(=[O:44])[O:47][CH2:23][C@@H:26]1[C@@H:29]([OH:38])[C@@H:30]([OH:39])[C@H:31]([N:35]2[CH:20]=[CH:19][C:27](=[NH:33])[N:34]=[C:32]2[OH:40])[O:49]1)[O:48][C:24]([CH3:2])=[O:36] |
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