| Properties | Image |
|---|
| MNX_ID | MNXM966262 |
 |
| reference | slm:000658647 |
| formula | C81H139NO9P |
| global charge | -1 |
| mol weight | 1301.975 |
| InChIKey | JBHUWRPAEDWGCC-NKZZTUKRSA-M |
| InChI | InChI=1S/C81H140NO9P/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-38-39-40-42-43-45-47-49-51-54-57-60-63-66-69-72-80(84)88-76-78(77-90-92(86,87)89-75-74-82-79(83)71-68-65-62-59-56-53-24-21-18-15-12-9-6-3)91-81(85)73-70-67-64-61-58-55-52-50-48-46-44-41-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,31-34,37-38,41,44,48,50,78H,4-7,9-10,12-15,18,21-24,29-30,35-36,39-40,42-43,45-47,49,51-77H2,1-3H3,(H,82,83)(H,86,87)/p-1/b11-8-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,38-37-,44-41-,50-48-/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)CCCCCCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COP(=O)([O-])OCCNC(=O)CCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C81H140NO9P/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-38-39-40-42-43-45-47-49-51-54-57-60-63-66-69-72-80(84)88-76-78(77-90-92(86,87)89-75-74-82-79(83)71-68-65-62-59-56-53-24-21-18-15-12-9-6-3)91-81(85)73-70-67-64-61-58-55-52-50-48-46-44-41-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,31-34,37-38,41,44,48,50,78H,4-7,9-10,12-15,18,21-24,29-30,35-36,39-40,42-43,45-47,49,51-77H2,1-3H3,(H,82,83)(H,86,87)/b11-8-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,38-37-,44-41-,50-48-/t78-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:27]\[CH2:29]/[CH:31]=[CH:33]\[CH2:35]/[CH:37]=[CH:38]\[CH2:39][CH2:40][CH2:42][CH2:43][CH2:45][CH2:47][CH2:49][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][CH2:24][CH2:21][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:50]=[CH:48]\[CH2:46]/[CH:44]=[CH:41]\[CH2:36]/[CH:34]=[CH:32]\[CH2:30]/[CH:28]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14]/[CH:11]=[CH:8]\[CH2:5][CH3:2])=[O:85] |
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