| Properties | Image |
MNX_ID | MNXM956861 |
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reference | slm:000649246 |
formula | C71H119NO9P |
global charge | -1 |
mol weight | 1161.705 |
InChIKey | HEGYROJKUZSAIS-LWJYCGAPSA-M |
InChI | InChI=1S/C71H120NO9P/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-35-36-37-39-42-45-48-51-54-57-60-63-71(75)81-68(66-78-70(74)62-59-56-53-50-47-44-41-38-29-26-23-20-17-14-11-8-5-2)67-80-82(76,77)79-65-64-72-69(73)61-58-55-52-49-46-43-40-27-24-21-18-15-12-9-6-3/h7,10,16-17,19-21,24-26,28-29,31-32,34-35,37,39,41,44,68H,4-6,8-9,11-15,18,22-23,27,30,33,36,38,40,42-43,45-67H2,1-3H3,(H,72,73)(H,76,77)/p-1/b10-7-,19-16-,20-17-,24-21-,28-25-,29-26-,32-31-,35-34-,39-37-,44-41-/t68-/m1/s1 |
SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)COP(=O)([O-])OCCNC(=O)CCCCCCCCC/C=C\CCCCCC |
MNX internals
InChI (mnx) | InChI=1/C71H120NO9P/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-35-36-37-39-42-45-48-51-54-57-60-63-71(75)81-68(66-78-70(74)62-59-56-53-50-47-44-41-38-29-26-23-20-17-14-11-8-5-2)67-80-82(76,77)79-65-64-72-69(73)61-58-55-52-49-46-43-40-27-24-21-18-15-12-9-6-3/h7,10,16-17,19-21,24-26,28-29,31-32,34-35,37,39,41,44,68H,4-6,8-9,11-15,18,22-23,27,30,33,36,38,40,42-43,45-67H2,1-3H3,(H,72,73)(H,76,77)/b10-7-,19-16-,20-17-,24-21-,28-25-,29-26-,32-31-,35-34-,39-37-,44-41-/t68-/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]\[CH2:30]/[CH:31]=[CH:32]\[CH2:33]/[CH:34]=[CH:35]\[CH2:36]/[CH:37]=[CH:39]\[CH2:42][CH2:45][CH2:48][CH2:51][CH2:54][CH2:57][CH2:60][CH2:63][C:71](=[O:75])[O:81][C@H:68]([CH2:66][O:78][C:70]([CH2:62][CH2:59][CH2:56][CH2:53][CH2:50][CH2:47]/[CH:44]=[CH:41]\[CH2:38]/[CH:29]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:74])[CH2:67][O:80][P:82]([OH:76])(=[O:77])[O:79][CH2:65][CH2:64][N:72]=[C:69]([CH2:61][CH2:58][CH2:55][CH2:52][CH2:49][CH2:46][CH2:43][CH2:40][CH2:27]/[CH:24]=[CH:21]\[CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[OH:73] |
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