| Properties | Image |
|---|
| MNX_ID | MNXM1051911 |
 |
| reference | slm:000744311 |
| formula | C60H87N3O15P2 |
| global charge | -2 |
| mol weight | 1152.31 |
| InChIKey | PNJWODXIRFNLNZ-NIABKDHQSA-L |
| InChI | InChI=1S/C60H89N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-28-30-32-34-36-38-40-42-44-46-56(65)76-52(49-73-55(64)45-43-41-39-37-35-33-31-29-27-22-20-18-16-14-12-10-8-6-4-2)50-74-79(69,70)78-80(71,72)75-51-53-57(66)58(67)59(77-53)63-48-47-54(61)62-60(63)68/h5-8,11-14,17-20,23-24,26-29,32-35,39,41,47-48,52-53,57-59,66-67H,3-4,9-10,15-16,21-22,25,30-31,36-38,40,42-46,49-51H2,1-2H3,(H,69,70)(H,71,72)(H2,61,62,68)/p-2/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,24-23-,28-26-,29-27-,34-32-,35-33-,41-39-/t52-,53-,57-,58-,59-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)O[C@H](COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C60H89N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-28-30-32-34-36-38-40-42-44-46-56(65)76-52(49-73-55(64)45-43-41-39-37-35-33-31-29-27-22-20-18-16-14-12-10-8-6-4-2)50-74-79(69,70)78-80(71,72)75-51-53-57(66)58(67)59(77-53)63-48-47-54(61)62-60(63)68/h5-8,11-14,17-20,23-24,26-29,32-35,39,41,47-48,52-53,57-59,66-67H,3-4,9-10,15-16,21-22,25,30-31,36-38,40,42-46,49-51H2,1-2H3,(H,69,70)(H,71,72)(H2,61,62,68)/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,24-23-,28-26-,29-27-,34-32-,35-33-,41-39-/t52-,53-,57-,58-,59-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3]/[CH:5]=[CH:7]\[CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:19]\[CH2:21]/[CH:23]=[CH:24]\[CH2:25]/[CH:26]=[CH:28]\[CH2:30]/[CH:32]=[CH:34]\[CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][C:56](=[O:65])[O:76][C@H:52]([CH2:49][O:73][C:55]([CH2:45][CH2:43]/[CH:41]=[CH:39]\[CH2:37]/[CH:35]=[CH:33]\[CH2:31]/[CH:29]=[CH:27]\[CH2:22]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10]/[CH:8]=[CH:6]\[CH2:4][CH3:2])=[O:64])[CH2:50][O:74][P:79]([OH:69])(=[O:70])[O:78][P:80]([OH:71])(=[O:72])[O:75][CH2:51][C@@H:53]1[C@@H:57]([OH:66])[C@@H:58]([OH:67])[C@H:59]([N:63]2[CH:48]=[CH:47][C:54](=[NH:61])[N:62]=[C:60]2[OH:68])[O:77]1 |
|