| Properties | Image |
|---|
| MNX_ID | MNXM938542 |
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| reference | slm:000630927 |
| formula | C71H127NO9P |
| global charge | -1 |
| mol weight | 1169.769 |
| InChIKey | GRGHAYNHOQPIMN-PQQBMTMGSA-M |
| InChI | InChI=1S/C71H128NO9P/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-45-47-50-53-56-59-62-70(74)78-66-68(81-71(75)63-60-57-54-51-48-44-24-21-18-15-12-9-6-3)67-80-82(76,77)79-65-64-72-69(73)61-58-55-52-49-46-43-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,31-32,48,51,68H,4-6,8-9,11-15,17-18,20-24,27,30,33-47,49-50,52-67H2,1-3H3,(H,72,73)(H,76,77)/p-1/b10-7-,19-16-,26-25-,29-28-,32-31-,51-48-/t68-/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)CCCCCCCCCCCCCCC)OC(=O)CCCC/C=C\CCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C71H128NO9P/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-45-47-50-53-56-59-62-70(74)78-66-68(81-71(75)63-60-57-54-51-48-44-24-21-18-15-12-9-6-3)67-80-82(76,77)79-65-64-72-69(73)61-58-55-52-49-46-43-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,31-32,48,51,68H,4-6,8-9,11-15,17-18,20-24,27,30,33-47,49-50,52-67H2,1-3H3,(H,72,73)(H,76,77)/b10-7-,19-16-,26-25-,29-28-,32-31-,51-48-/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:26]\[CH2:27]/[CH:28]=[CH:29]\[CH2:30]/[CH:31]=[CH:32]\[CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][CH2:45][CH2:47][CH2:50][CH2:53][CH2:56][CH2:59][CH2:62][C:70](=[O:74])[O:78][CH2:66][C@H:68]([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][CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])[OH:73])[O:81][C:71]([CH2:63][CH2:60][CH2:57][CH2:54]/[CH:51]=[CH:48]\[CH2:44][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:75] |
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