| Properties | Image |
|---|
| MNX_ID | MNXM938674 |
 |
| reference | slm:000631059 |
| formula | C80H139NO9P |
| global charge | -1 |
| mol weight | 1289.964 |
| InChIKey | HQKUUFGBFRZPOU-MNRZOUNHSA-M |
| InChI | InChI=1S/C80H140NO9P/c1-4-7-10-13-16-19-22-25-28-31-33-34-35-36-37-38-39-40-41-42-43-44-45-48-50-53-56-59-62-65-68-71-79(83)87-75-77(90-80(84)72-69-66-63-60-57-54-51-47-32-29-26-23-20-17-14-11-8-5-2)76-89-91(85,86)88-74-73-81-78(82)70-67-64-61-58-55-52-49-46-30-27-24-21-18-15-12-9-6-3/h7,10,16,18-19,21,25,27-28,30,33-34,36-37,49,52,58,61,77H,4-6,8-9,11-15,17,20,22-24,26,29,31-32,35,38-48,50-51,53-57,59-60,62-76H2,1-3H3,(H,81,82)(H,85,86)/p-1/b10-7-,19-16-,21-18-,28-25-,30-27-,34-33-,37-36-,52-49-,61-58-/t77-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C80H140NO9P/c1-4-7-10-13-16-19-22-25-28-31-33-34-35-36-37-38-39-40-41-42-43-44-45-48-50-53-56-59-62-65-68-71-79(83)87-75-77(90-80(84)72-69-66-63-60-57-54-51-47-32-29-26-23-20-17-14-11-8-5-2)76-89-91(85,86)88-74-73-81-78(82)70-67-64-61-58-55-52-49-46-30-27-24-21-18-15-12-9-6-3/h7,10,16,18-19,21,25,27-28,30,33-34,36-37,49,52,58,61,77H,4-6,8-9,11-15,17,20,22-24,26,29,31-32,35,38-48,50-51,53-57,59-60,62-76H2,1-3H3,(H,81,82)(H,85,86)/b10-7-,19-16-,21-18-,28-25-,30-27-,34-33-,37-36-,52-49-,61-58-/t77-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:28]\[CH2:31]/[CH:33]=[CH:34]\[CH2:35]/[CH:36]=[CH:37]\[CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][CH2:44][CH2:45][CH2:48][CH2:50][CH2:53][CH2:56][CH2:59][CH2:62][CH2:65][CH2:68][CH2:71][C:79](=[O:83])[O:87][CH2:75][C@H:77]([CH2:76][O:89][P:91]([OH:85])(=[O:86])[O:88][CH2:74][CH2:73][N:81]=[C:78]([CH2:70][CH2:67][CH2:64]/[CH:61]=[CH:58]\[CH2:55]/[CH:52]=[CH:49]\[CH2:46]/[CH:30]=[CH:27]\[CH2:24]/[CH:21]=[CH:18]\[CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[OH:82])[O:90][C:80]([CH2:72][CH2:69][CH2:66][CH2:63][CH2:60][CH2:57][CH2:54][CH2:51][CH2:47][CH2:32][CH2:29][CH2:26][CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:84] |
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