| Properties | Image |
|---|
| MNX_ID | MNXM968106 |
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| reference | slm:000660491 |
| formula | C81H141NO9P |
| global charge | -1 |
| mol weight | 1303.991 |
| InChIKey | JCABISAOSUHXFT-DTTWQTGXSA-M |
| InChI | InChI=1S/C81H142NO9P/c1-4-7-10-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-66-69-72-80(84)88-76-78(77-90-92(86,87)89-75-74-82-79(83)71-68-65-12-9-6-3)91-81(85)73-70-67-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-11-8-5-2/h15-18,21-24,27-30,33-36,40,42,78H,4-14,19-20,25-26,31-32,37-39,41,43-77H2,1-3H3,(H,82,83)(H,86,87)/p-1/b17-15-,18-16-,23-21-,24-22-,29-27-,30-28-,35-33-,36-34-,42-40-/t78-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COP(=O)([O-])OCCNC(=O)CCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C81H142NO9P/c1-4-7-10-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-66-69-72-80(84)88-76-78(77-90-92(86,87)89-75-74-82-79(83)71-68-65-12-9-6-3)91-81(85)73-70-67-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-11-8-5-2/h15-18,21-24,27-30,33-36,40,42,78H,4-14,19-20,25-26,31-32,37-39,41,43-77H2,1-3H3,(H,82,83)(H,86,87)/b17-15-,18-16-,23-21-,24-22-,29-27-,30-28-,35-33-,36-34-,42-40-/t78-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:15]=[CH:17]\[CH2:19]/[CH:21]=[CH:23]\[CH2:25]/[CH:27]=[CH:29]\[CH2:31]/[CH:33]=[CH:35]\[CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][CH2:49][CH2:51][CH2:53][CH2:55][CH2:57][CH2:59][CH2:61][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][CH2:12][CH2:9][CH2:6][CH3:3])[OH:83])[O:91][C:81]([CH2:73][CH2:70][CH2:67][CH2:64][CH2:62][CH2:60][CH2:58][CH2:56][CH2:54][CH2:52][CH2:50][CH2:48][CH2:46][CH2:44]/[CH:42]=[CH:40]\[CH2:38]/[CH:36]=[CH:34]\[CH2:32]/[CH:30]=[CH:28]\[CH2:26]/[CH:24]=[CH:22]\[CH2:20]/[CH:18]=[CH:16]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:85] |
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