| Properties | Image |
|---|
| MNX_ID | MNXM1052803 |
 |
| reference | slm:000745203 |
| formula | C56H87N3O15P2 |
| global charge | -2 |
| mol weight | 1104.266 |
| InChIKey | XXVQQUJMDAPWGN-HHPIMMQGSA-L |
| InChI | InChI=1S/C56H89N3O15P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-29-31-33-35-37-39-41-51(60)69-45-48(72-52(61)42-40-38-36-34-32-30-27-18-16-14-12-10-8-6-4-2)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/h11-14,17-19,21-22,24-25,27-29,32,34,43-44,48-49,53-55,62-63H,3-10,15-16,20,23,26,30-31,33,35-42,45-47H2,1-2H3,(H,65,66)(H,67,68)(H2,57,58,64)/p-2/b13-11-,14-12-,19-17-,22-21-,25-24-,27-18-,29-28-,34-32-/t48-,49-,53-,54-,55-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=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)CCCC/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C56H89N3O15P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-29-31-33-35-37-39-41-51(60)69-45-48(72-52(61)42-40-38-36-34-32-30-27-18-16-14-12-10-8-6-4-2)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/h11-14,17-19,21-22,24-25,27-29,32,34,43-44,48-49,53-55,62-63H,3-10,15-16,20,23,26,30-31,33,35-42,45-47H2,1-2H3,(H,65,66)(H,67,68)(H2,57,58,64)/b13-11-,14-12-,19-17-,22-21-,25-24-,27-18-,29-28-,34-32-/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:17]=[CH:19]\[CH2:20]/[CH:21]=[CH:22]\[CH2:23]/[CH:24]=[CH:25]\[CH2:26]/[CH:28]=[CH:29]\[CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][C:51](=[O:60])[O:69][CH2:45][C@H:48]([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)[O:72][C:52]([CH2:42][CH2:40][CH2:38][CH2:36]/[CH:34]=[CH:32]\[CH2:30]/[CH:27]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:61] |
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