| Properties | Image |
|---|
| MNX_ID | MNXM939225 |
 |
| reference | slm:000631610 |
| formula | C81H137NO9P |
| global charge | -1 |
| mol weight | 1299.959 |
| InChIKey | QXBUEUIIRGJKFW-MSVLMWIESA-M |
| InChI | InChI=1S/C81H138NO9P/c1-4-7-10-13-16-18-20-22-24-26-28-30-32-34-36-37-38-39-40-41-43-44-46-48-50-52-54-56-58-60-63-66-69-72-80(84)88-76-78(77-90-92(86,87)89-75-74-82-79(83)71-68-65-62-15-12-9-6-3)91-81(85)73-70-67-64-61-59-57-55-53-51-49-47-45-42-35-33-31-29-27-25-23-21-19-17-14-11-8-5-2/h7-8,10-11,16-19,22-25,28-31,34-36,42,47,49,78H,4-6,9,12-15,20-21,26-27,32-33,37-41,43-46,48,50-77H2,1-3H3,(H,82,83)(H,86,87)/p-1/b10-7-,11-8-,18-16-,19-17-,24-22-,25-23-,30-28-,31-29-,36-34-,42-35-,49-47-/t78-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COP(=O)([O-])OCCNC(=O)CCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C81H138NO9P/c1-4-7-10-13-16-18-20-22-24-26-28-30-32-34-36-37-38-39-40-41-43-44-46-48-50-52-54-56-58-60-63-66-69-72-80(84)88-76-78(77-90-92(86,87)89-75-74-82-79(83)71-68-65-62-15-12-9-6-3)91-81(85)73-70-67-64-61-59-57-55-53-51-49-47-45-42-35-33-31-29-27-25-23-21-19-17-14-11-8-5-2/h7-8,10-11,16-19,22-25,28-31,34-36,42,47,49,78H,4-6,9,12-15,20-21,26-27,32-33,37-41,43-46,48,50-77H2,1-3H3,(H,82,83)(H,86,87)/b10-7-,11-8-,18-16-,19-17-,24-22-,25-23-,30-28-,31-29-,36-34-,42-35-,49-47-/t78-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:13]/[CH:16]=[CH:18]\[CH2:20]/[CH:22]=[CH:24]\[CH2:26]/[CH:28]=[CH:30]\[CH2:32]/[CH:34]=[CH:36]\[CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:43][CH2:44][CH2:46][CH2:48][CH2:50][CH2:52][CH2:54][CH2:56][CH2:58][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][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[OH:83])[O:91][C:81]([CH2:73][CH2:70][CH2:67][CH2:64][CH2:61][CH2:59][CH2:57][CH2:55][CH2:53][CH2:51]/[CH:49]=[CH:47]\[CH2:45]/[CH:42]=[CH:35]\[CH2:33]/[CH:31]=[CH:29]\[CH2:27]/[CH:25]=[CH:23]\[CH2:21]/[CH:19]=[CH:17]\[CH2:14]/[CH:11]=[CH:8]\[CH2:5][CH3:2])=[O:85] |
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