| Properties | Image |
|---|
| MNX_ID | MNXM1048961 |
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| reference | slm:000741355 |
| formula | C46H77N3O15P2 |
| global charge | -2 |
| mol weight | 974.076 |
| InChIKey | BCJNNFCHIIOKLM-URCJBRJKSA-L |
| InChI | InChI=1S/C46H79N3O15P2/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-42(51)62-38(35-59-41(50)31-29-27-25-23-21-14-12-10-8-6-4-2)36-60-65(55,56)64-66(57,58)61-37-39-43(52)44(53)45(63-39)49-34-33-40(47)48-46(49)54/h10-13,16-17,33-34,38-39,43-45,52-53H,3-9,14-15,18-32,35-37H2,1-2H3,(H,55,56)(H,57,58)(H2,47,48,54)/p-2/b12-10-,13-11-,17-16-/t38-,39-,43-,44-,45-/m1/s1 |
| SMILES | CCCC/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(=O)CCCCCCCCC/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C46H79N3O15P2/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-42(51)62-38(35-59-41(50)31-29-27-25-23-21-14-12-10-8-6-4-2)36-60-65(55,56)64-66(57,58)61-37-39-43(52)44(53)45(63-39)49-34-33-40(47)48-46(49)54/h10-13,16-17,33-34,38-39,43-45,52-53H,3-9,14-15,18-32,35-37H2,1-2H3,(H,55,56)(H,57,58)(H2,47,48,54)/b12-10-,13-11-,17-16-/t38-,39-,43-,44-,45-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:16]=[CH:17]\[CH2:18][CH2:19][CH2:20][CH2:22][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][C:42](=[O:51])[O:62][C@H:38]([CH2:35][O:59][C:41]([CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:21][CH2:14]/[CH:12]=[CH:10]\[CH2:8][CH2:6][CH2:4][CH3:2])=[O:50])[CH2:36][O:60][P:65]([OH:55])(=[O:56])[O:64][P:66]([OH:57])(=[O:58])[O:61][CH2:37][C@@H:39]1[C@@H:43]([OH:52])[C@@H:44]([OH:53])[C@H:45]([N:49]2[CH:34]=[CH:33][C:40](=[NH:47])[N:48]=[C:46]2[OH:54])[O:63]1 |
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