| Properties | Image |
|---|
| MNX_ID | MNXM1053693 |
 |
| reference | slm:000746093 |
| formula | C76H123N3O15P2 |
| global charge | -2 |
| mol weight | 1380.774 |
| InChIKey | KNEZCDFDMYZHPV-MVGJEYKBSA-L |
| InChI | InChI=1S/C76H125N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-32-33-34-36-38-40-42-44-46-48-50-52-54-56-58-60-62-72(81)92-68(66-90-95(85,86)94-96(87,88)91-67-69-73(82)74(83)75(93-69)79-64-63-70(77)78-76(79)84)65-89-71(80)61-59-57-55-53-51-49-47-45-43-41-39-37-35-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23-26,29-31,35,39,41,63-64,68-69,73-75,82-83H,3-4,6,8-10,15-16,21-22,27-28,32-34,36-38,40,42-62,65-67H2,1-2H3,(H,85,86)(H,87,88)(H2,77,78,84)/p-2/b7-5-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,35-30-,41-39-/t68-,69-,73-,74-,75-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)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/C76H125N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-32-33-34-36-38-40-42-44-46-48-50-52-54-56-58-60-62-72(81)92-68(66-90-95(85,86)94-96(87,88)91-67-69-73(82)74(83)75(93-69)79-64-63-70(77)78-76(79)84)65-89-71(80)61-59-57-55-53-51-49-47-45-43-41-39-37-35-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23-26,29-31,35,39,41,63-64,68-69,73-75,82-83H,3-4,6,8-10,15-16,21-22,27-28,32-34,36-38,40,42-62,65-67H2,1-2H3,(H,85,86)(H,87,88)(H2,77,78,84)/b7-5-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,35-30-,41-39-/t68-,69-,73-,74-,75-/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:25]\[CH2:27]/[CH:29]=[CH:31]\[CH2:32][CH2:33][CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][CH2:50][CH2:52][CH2:54][CH2:56][CH2:58][CH2:60][CH2:62][C:72](=[O:81])[O:92][C@H:68]([CH2:65][O:89][C:71]([CH2:61][CH2:59][CH2:57][CH2:55][CH2:53][CH2:51][CH2:49][CH2:47][CH2:45][CH2:43]/[CH:41]=[CH:39]\[CH2:37]/[CH:35]=[CH:30]\[CH2:28]/[CH:26]=[CH:24]\[CH2:22]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:80])[CH2:66][O:90][P:95]([OH:85])(=[O:86])[O:94][P:96]([OH:87])(=[O:88])[O:91][CH2:67][C@@H:69]1[C@@H:73]([OH:82])[C@@H:74]([OH:83])[C@H:75]([N:79]2[CH:64]=[CH:63][C:70](=[NH:77])[N:78]=[C:76]2[OH:84])[O:93]1 |
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