| Properties | Image |
|---|
| MNX_ID | MNXM965984 |
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| reference | slm:000658369 |
| formula | C81H145NO9P |
| global charge | -1 |
| mol weight | 1308.023 |
| InChIKey | YWXIKPGTBYRGAC-HYYZFTANSA-M |
| InChI | InChI=1S/C81H146NO9P/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-37-38-39-40-41-43-44-46-48-51-54-57-60-63-66-69-72-80(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)73-70-67-64-61-58-55-52-49-47-45-42-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,32,34,37-38,50,78H,4-8,10-11,13-15,17,20,22-24,26,29-31,33,35-36,39-49,51-77H2,1-3H3,(H,82,83)(H,86,87)/p-1/b12-9-,19-16-,21-18-,28-25-,34-32-,38-37-,50-27-/t78-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)NCCOP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C81H146NO9P/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-37-38-39-40-41-43-44-46-48-51-54-57-60-63-66-69-72-80(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)73-70-67-64-61-58-55-52-49-47-45-42-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,32,34,37-38,50,78H,4-8,10-11,13-15,17,20,22-24,26,29-31,33,35-36,39-49,51-77H2,1-3H3,(H,82,83)(H,86,87)/b12-9-,19-16-,21-18-,28-25-,34-32-,38-37-,50-27-/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:28]\[CH2:30]/[CH:32]=[CH:34]\[CH2:36]/[CH:37]=[CH:38]\[CH2:39][CH2:40][CH2:41][CH2:43][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]/[CH:50]=[CH:27]\[CH2:24]/[CH:21]=[CH:18]\[CH2:15]/[CH:12]=[CH: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][CH2:49][CH2:47][CH2:45][CH2:42][CH2:35][CH2:33][CH2:31][CH2:29][CH2:26][CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:85] |
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