| Properties | Image |
|---|
| MNX_ID | MNXM1054267 |
 |
| reference | slm:000746667 |
| formula | C74H121N3O15P2 |
| global charge | -2 |
| mol weight | 1354.736 |
| InChIKey | WYDQXTILGYCHIU-WFTXOBDHSA-L |
| InChI | InChI=1S/C74H123N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-31-32-33-34-36-37-39-41-43-45-47-49-51-53-55-57-59-69(78)87-63-66(64-88-93(83,84)92-94(85,86)89-65-67-71(80)72(81)73(91-67)77-62-61-68(75)76-74(77)82)90-70(79)60-58-56-54-52-50-48-46-44-42-40-38-35-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,23-26,29-30,35,38,61-62,66-67,71-73,80-81H,3-5,7,9-10,15-16,21-22,27-28,31-34,36-37,39-60,63-65H2,1-2H3,(H,83,84)(H,85,86)(H2,75,76,82)/p-2/b8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,30-29-,38-35-/t66-,67-,71-,72-,73-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC/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/C74H123N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-31-32-33-34-36-37-39-41-43-45-47-49-51-53-55-57-59-69(78)87-63-66(64-88-93(83,84)92-94(85,86)89-65-67-71(80)72(81)73(91-67)77-62-61-68(75)76-74(77)82)90-70(79)60-58-56-54-52-50-48-46-44-42-40-38-35-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,23-26,29-30,35,38,61-62,66-67,71-73,80-81H,3-5,7,9-10,15-16,21-22,27-28,31-34,36-37,39-60,63-65H2,1-2H3,(H,83,84)(H,85,86)(H2,75,76,82)/b8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,30-29-,38-35-/t66-,67-,71-,72-,73-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:19]\[CH2:21]/[CH:23]=[CH:25]\[CH2:27]/[CH:29]=[CH:30]\[CH2:31][CH2:32][CH2:33][CH2:34][CH2:36][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][CH2:49][CH2:51][CH2:53][CH2:55][CH2:57][CH2:59][C:69](=[O:78])[O:87][CH2:63][C@H:66]([CH2:64][O:88][P:93]([OH:83])(=[O:84])[O:92][P:94]([OH:85])(=[O:86])[O:89][CH2:65][C@@H:67]1[C@@H:71]([OH:80])[C@@H:72]([OH:81])[C@H:73]([N:77]2[CH:62]=[CH:61][C:68](=[NH:75])[N:76]=[C:74]2[OH:82])[O:91]1)[O:90][C:70]([CH2:60][CH2:58][CH2:56][CH2:54][CH2:52][CH2:50][CH2:48][CH2:46][CH2:44][CH2:42][CH2:40]/[CH:38]=[CH:35]\[CH2:28]/[CH:26]=[CH:24]\[CH2:22]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10]/[CH:8]=[CH:6]\[CH2:4][CH3:2])=[O:79] |
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