| Properties | Image |
|---|
| MNX_ID | MNXM1049379 |
 |
| reference | slm:000741777 |
| formula | C49H85N3O15P2 |
| global charge | -2 |
| mol weight | 1018.173 |
| InChIKey | RYVYLUWSBHKAOD-KJJQXPBISA-L |
| InChI | InChI=1S/C49H87N3O15P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-35-45(54)65-41(38-62-44(53)34-32-30-28-26-24-22-16-14-12-10-8-6-4-2)39-63-68(58,59)67-69(60,61)64-40-42-46(55)47(56)48(66-42)52-37-36-43(50)51-49(52)57/h8,10,14,16,36-37,41-42,46-48,55-56H,3-7,9,11-13,15,17-35,38-40H2,1-2H3,(H,58,59)(H,60,61)(H2,50,51,57)/p-2/b10-8-,16-14-/t41-,42-,46-,47-,48-/m1/s1 |
| SMILES | CCC/C=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(=O)CCCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C49H87N3O15P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-35-45(54)65-41(38-62-44(53)34-32-30-28-26-24-22-16-14-12-10-8-6-4-2)39-63-68(58,59)67-69(60,61)64-40-42-46(55)47(56)48(66-42)52-37-36-43(50)51-49(52)57/h8,10,14,16,36-37,41-42,46-48,55-56H,3-7,9,11-13,15,17-35,38-40H2,1-2H3,(H,58,59)(H,60,61)(H2,50,51,57)/b10-8-,16-14-/t41-,42-,46-,47-,48-/m1/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][CH2:20][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][C:45](=[O:54])[O:65][C@H:41]([CH2:38][O:62][C:44]([CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:22]/[CH:16]=[CH:14]\[CH2:12]/[CH:10]=[CH:8]\[CH2:6][CH2:4][CH3:2])=[O:53])[CH2:39][O:63][P:68]([OH:58])(=[O:59])[O:67][P:69]([OH:60])(=[O:61])[O:64][CH2:40][C@@H:42]1[C@@H:46]([OH:55])[C@@H:47]([OH:56])[C@H:48]([N:52]2[CH:37]=[CH:36][C:43](=[NH:50])[N:51]=[C:49]2[OH:57])[O:66]1 |
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