| Properties | Image |
|---|
| MNX_ID | MNXM1054024 |
 |
| reference | slm:000746424 |
| formula | C76H123N3O15P2 |
| global charge | -2 |
| mol weight | 1380.774 |
| InChIKey | MKRSWDMEOXHIIH-BQSYGRNFSA-L |
| InChI | InChI=1S/C76H125N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-71(80)89-65-68(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)92-72(81)62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-26,29-32,35-38,63-64,68-69,73-75,82-83H,3-10,15-16,21-22,27-28,33-34,39-62,65-67H2,1-2H3,(H,85,86)(H,87,88)(H2,77,78,84)/p-2/b13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-,37-35-,38-36-/t68-,69-,73-,74-,75-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCC(=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)CCCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C76H125N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-71(80)89-65-68(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)92-72(81)62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-26,29-32,35-38,63-64,68-69,73-75,82-83H,3-10,15-16,21-22,27-28,33-34,39-62,65-67H2,1-2H3,(H,85,86)(H,87,88)(H2,77,78,84)/b13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-,37-35-,38-36-/t68-,69-,73-,74-,75-/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]\[CH2:21]/[CH:23]=[CH:25]\[CH2:27]/[CH:29]=[CH:31]\[CH2:33]/[CH:35]=[CH:37]\[CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][CH2:49][CH2:51][CH2:53][CH2:55][CH2:57][CH2:59][CH2:61][C:71](=[O:80])[O:89][CH2:65][C@H:68]([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)[O:92][C:72]([CH2:62][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:36]\[CH2:34]/[CH:32]=[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:81] |
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