| Properties | Image |
|---|
| MNX_ID | MNXM939224 |
 |
| reference | slm:000631609 |
| formula | C79H133NO9P |
| global charge | -1 |
| mol weight | 1271.905 |
| InChIKey | JYATZBAGBGGPQC-IVEVCZSMSA-M |
| InChI | InChI=1S/C79H134NO9P/c1-4-7-10-13-15-17-19-21-23-25-27-29-31-33-35-36-37-38-39-40-42-43-45-47-49-51-53-55-57-59-61-64-67-70-78(82)86-74-76(75-88-90(84,85)87-73-72-80-77(81)69-66-63-12-9-6-3)89-79(83)71-68-65-62-60-58-56-54-52-50-48-46-44-41-34-32-30-28-26-24-22-20-18-16-14-11-8-5-2/h7-8,10-11,15-18,21-24,27-30,33-35,41,46,48,76H,4-6,9,12-14,19-20,25-26,31-32,36-40,42-45,47,49-75H2,1-3H3,(H,80,81)(H,84,85)/p-1/b10-7-,11-8-,17-15-,18-16-,23-21-,24-22-,29-27-,30-28-,35-33-,41-34-,48-46-/t76-/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)CCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C79H134NO9P/c1-4-7-10-13-15-17-19-21-23-25-27-29-31-33-35-36-37-38-39-40-42-43-45-47-49-51-53-55-57-59-61-64-67-70-78(82)86-74-76(75-88-90(84,85)87-73-72-80-77(81)69-66-63-12-9-6-3)89-79(83)71-68-65-62-60-58-56-54-52-50-48-46-44-41-34-32-30-28-26-24-22-20-18-16-14-11-8-5-2/h7-8,10-11,15-18,21-24,27-30,33-35,41,46,48,76H,4-6,9,12-14,19-20,25-26,31-32,36-40,42-45,47,49-75H2,1-3H3,(H,80,81)(H,84,85)/b10-7-,11-8-,17-15-,18-16-,23-21-,24-22-,29-27-,30-28-,35-33-,41-34-,48-46-/t76-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4]/[CH:7]=[CH: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]\[CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:42][CH2:43][CH2:45][CH2:47][CH2:49][CH2:51][CH2:53][CH2:55][CH2:57][CH2:59][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][CH2:12][CH2:9][CH2:6][CH3:3])[OH:81])[O:89][C:79]([CH2:71][CH2:68][CH2:65][CH2:62][CH2:60][CH2:58][CH2:56][CH2:54][CH2:52][CH2:50]/[CH:48]=[CH:46]\[CH2:44]/[CH:41]=[CH:34]\[CH2:32]/[CH:30]=[CH:28]\[CH2:26]/[CH:24]=[CH:22]\[CH2:20]/[CH:18]=[CH:16]\[CH2:14]/[CH:11]=[CH:8]\[CH2:5][CH3:2])=[O:83] |
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