| Properties | Image |
|---|
| MNX_ID | MNXM959158 |
 |
| reference | slm:000651543 |
| formula | C81H139NO9P |
| global charge | -1 |
| mol weight | 1301.975 |
| InChIKey | KCQJZWZCCKPHKW-NZVQQKGOSA-M |
| InChI | InChI=1S/C81H140NO9P/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-45-46-47-49-52-55-58-61-64-67-70-73-81(85)91-78(76-88-80(84)72-69-66-63-60-57-54-51-48-29-26-23-20-17-14-11-8-5-2)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/h7,10,16-17,19-20,25-29,31-32,34-35,50-51,54,60,63,78H,4-6,8-9,11-15,18,21-24,30,33,36-49,52-53,55-59,61-62,64-77H2,1-3H3,(H,82,83)(H,86,87)/p-1/b10-7-,19-16-,20-17-,28-25-,29-26-,32-31-,35-34-,50-27-,54-51-,63-60-/t78-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COP(=O)([O-])OCCNC(=O)CCCCCCC/C=C\CCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C81H140NO9P/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-45-46-47-49-52-55-58-61-64-67-70-73-81(85)91-78(76-88-80(84)72-69-66-63-60-57-54-51-48-29-26-23-20-17-14-11-8-5-2)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/h7,10,16-17,19-20,25-29,31-32,34-35,50-51,54,60,63,78H,4-6,8-9,11-15,18,21-24,30,33,36-49,52-53,55-59,61-62,64-77H2,1-3H3,(H,82,83)(H,86,87)/b10-7-,19-16-,20-17-,28-25-,29-26-,32-31-,35-34-,50-27-,54-51-,63-60-/t78-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:28]\[CH2:30]/[CH:31]=[CH:32]\[CH2:33]/[CH:34]=[CH:35]\[CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][CH2:44][CH2:45][CH2:46][CH2:47][CH2:49][CH2:52][CH2:55][CH2:58][CH2:61][CH2:64][CH2:67][CH2:70][CH2:73][C:81](=[O:85])[O:91][C@H:78]([CH2:76][O:88][C:80]([CH2:72][CH2:69][CH2:66]/[CH:63]=[CH:60]\[CH2:57]/[CH:54]=[CH:51]\[CH2:48]/[CH:29]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:84])[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]/[CH:50]=[CH:27]\[CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[OH:83] |
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