| Properties | Image |
|---|
| MNX_ID | MNXM964808 |
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| reference | slm:000657193 |
| formula | C79H141NO9P |
| global charge | -1 |
| mol weight | 1279.969 |
| InChIKey | ABFGTCUFGWOGDQ-WZNVCESASA-M |
| InChI | InChI=1S/C79H142NO9P/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-37-38-39-41-42-44-46-49-52-55-58-61-64-67-70-78(82)86-74-76(75-88-90(84,85)87-73-72-80-77(81)69-66-63-60-57-54-51-48-27-24-21-18-15-12-9-6-3)89-79(83)71-68-65-62-59-56-53-50-47-45-43-40-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,32,34,37-38,48,76H,4-8,10-11,13-15,17,20,22-24,26,29-31,33,35-36,39-47,49-75H2,1-3H3,(H,80,81)(H,84,85)/p-1/b12-9-,19-16-,21-18-,28-25-,34-32-,38-37-,48-27-/t76-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)NCCOP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C79H142NO9P/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-37-38-39-41-42-44-46-49-52-55-58-61-64-67-70-78(82)86-74-76(75-88-90(84,85)87-73-72-80-77(81)69-66-63-60-57-54-51-48-27-24-21-18-15-12-9-6-3)89-79(83)71-68-65-62-59-56-53-50-47-45-43-40-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,32,34,37-38,48,76H,4-8,10-11,13-15,17,20,22-24,26,29-31,33,35-36,39-47,49-75H2,1-3H3,(H,80,81)(H,84,85)/b12-9-,19-16-,21-18-,28-25-,34-32-,38-37-,48-27-/t76-/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][CH2:41][CH2:42][CH2:44][CH2:46][CH2:49][CH2:52][CH2:55][CH2:58][CH2:61][CH2:64][CH2:67][CH2:70][C:78](=[O:82])[O:86][CH2:74][C@H:76]([CH2:75][O:88][P:90]([OH:84])(=[O:85])[O:87][CH2:73][CH2:72][N:80]=[C:77]([CH2:69][CH2:66][CH2:63][CH2:60][CH2:57][CH2:54][CH2:51]/[CH:48]=[CH:27]\[CH2:24]/[CH:21]=[CH:18]\[CH2:15]/[CH:12]=[CH:9]\[CH2:6][CH3:3])[OH:81])[O:89][C:79]([CH2:71][CH2:68][CH2:65][CH2:62][CH2:59][CH2:56][CH2:53][CH2:50][CH2:47][CH2:45][CH2:43][CH2:40][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:83] |
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