| Properties | Image |
|---|
| MNX_ID | MNXM965093 |
 |
| reference | slm:000657478 |
| formula | C81H137NO9P |
| global charge | -1 |
| mol weight | 1299.959 |
| InChIKey | ZKJZRYNRIYHTJQ-JKHLVBARSA-M |
| InChI | InChI=1S/C81H138NO9P/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-39-41-42-44-46-48-51-54-57-60-63-66-69-72-80(84)88-76-78(77-90-92(86,87)89-75-74-82-79(83)71-68-65-62-59-56-53-50-27-24-21-18-15-12-9-6-3)91-81(85)73-70-67-64-61-58-55-52-49-47-45-43-40-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28-29,32-35,38-40,43,47,49,78H,4-7,9-10,12-15,18,22-23,27,30-31,36-37,41-42,44-46,48,50-77H2,1-3H3,(H,82,83)(H,86,87)/p-1/b11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,34-32-,35-33-,39-38-,43-40-,49-47-/t78-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COP(=O)([O-])OCCNC(=O)CCCCCCCCC/C=C\CCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C81H138NO9P/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-39-41-42-44-46-48-51-54-57-60-63-66-69-72-80(84)88-76-78(77-90-92(86,87)89-75-74-82-79(83)71-68-65-62-59-56-53-50-27-24-21-18-15-12-9-6-3)91-81(85)73-70-67-64-61-58-55-52-49-47-45-43-40-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28-29,32-35,38-40,43,47,49,78H,4-7,9-10,12-15,18,22-23,27,30-31,36-37,41-42,44-46,48,50-77H2,1-3H3,(H,82,83)(H,86,87)/b11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,34-32-,35-33-,39-38-,43-40-,49-47-/t78-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:28]\[CH2:30]/[CH:32]=[CH:34]\[CH2:36]/[CH:38]=[CH:39]\[CH2:41][CH2:42][CH2:44][CH2:46][CH2:48][CH2:51][CH2:54][CH2:57][CH2:60][CH2:63][CH2:66][CH2:69][CH2:72][C:80](=[O:84])[O:88][CH2:76][C@H:78]([CH2:77][O:90][P:92]([OH:86])(=[O:87])[O:89][CH2:75][CH2:74][N:82]=[C:79]([CH2:71][CH2:68][CH2:65][CH2:62][CH2:59][CH2:56][CH2:53][CH2:50][CH2:27]/[CH:24]=[CH:21]\[CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[OH:83])[O:91][C:81]([CH2:73][CH2:70][CH2:67][CH2:64][CH2:61][CH2:58][CH2:55][CH2:52]/[CH:49]=[CH:47]\[CH2:45]/[CH:43]=[CH:40]\[CH2:37]/[CH:35]=[CH:33]\[CH2:31]/[CH:29]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14]/[CH:11]=[CH:8]\[CH2:5][CH3:2])=[O:85] |
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