| Properties | Image |
|---|
| MNX_ID | MNXM1048995 |
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| reference | slm:000741389 |
| formula | C56H91N3O15P2 |
| global charge | -2 |
| mol weight | 1108.298 |
| InChIKey | OBGJJUXXMUJKLT-GBVUKFEKSA-L |
| InChI | InChI=1S/C56H93N3O15P2/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-32-34-36-38-40-42-52(61)72-48(45-69-51(60)41-39-37-35-33-31-14-12-10-8-6-4-2)46-70-75(65,66)74-76(67,68)71-47-49-53(62)54(63)55(73-49)59-44-43-50(57)58-56(59)64/h10-13,16-17,19-20,22-23,25-26,43-44,48-49,53-55,62-63H,3-9,14-15,18,21,24,27-42,45-47H2,1-2H3,(H,65,66)(H,67,68)(H2,57,58,64)/p-2/b12-10-,13-11-,17-16-,20-19-,23-22-,26-25-/t48-,49-,53-,54-,55-/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)CCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C56H93N3O15P2/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-32-34-36-38-40-42-52(61)72-48(45-69-51(60)41-39-37-35-33-31-14-12-10-8-6-4-2)46-70-75(65,66)74-76(67,68)71-47-49-53(62)54(63)55(73-49)59-44-43-50(57)58-56(59)64/h10-13,16-17,19-20,22-23,25-26,43-44,48-49,53-55,62-63H,3-9,14-15,18,21,24,27-42,45-47H2,1-2H3,(H,65,66)(H,67,68)(H2,57,58,64)/b12-10-,13-11-,17-16-,20-19-,23-22-,26-25-/t48-,49-,53-,54-,55-/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]/[CH:19]=[CH:20]\[CH2:21]/[CH:22]=[CH:23]\[CH2:24]/[CH:25]=[CH:26]\[CH2:27][CH2:28][CH2:29][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][C:52](=[O:61])[O:72][C@H:48]([CH2:45][O:69][C:51]([CH2:41][CH2:39][CH2:37][CH2:35][CH2:33][CH2:31][CH2:14]/[CH:12]=[CH:10]\[CH2:8][CH2:6][CH2:4][CH3:2])=[O:60])[CH2:46][O:70][P:75]([OH:65])(=[O:66])[O:74][P:76]([OH:67])(=[O:68])[O:71][CH2:47][C@@H:49]1[C@@H:53]([OH:62])[C@@H:54]([OH:63])[C@H:55]([N:59]2[CH:44]=[CH:43][C:50](=[NH:57])[N:58]=[C:56]2[OH:64])[O:73]1 |
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