| Properties | Image |
|---|
| MNX_ID | MNXM954496 |
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| reference | slm:000646881 |
| formula | C71H121NO9P |
| global charge | -1 |
| mol weight | 1163.721 |
| InChIKey | KGOHHWAGSUDBIR-ZSFCPPJJSA-M |
| InChI | InChI=1S/C71H122NO9P/c1-4-7-10-13-16-19-22-25-28-30-32-33-34-35-37-39-42-45-48-51-54-57-60-63-71(75)81-68(66-78-70(74)62-59-56-53-50-47-44-41-38-36-31-29-26-23-20-17-14-11-8-5-2)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/h7,10,16-17,19-20,25-29,32-33,35,37,40,42,45,68H,4-6,8-9,11-15,18,21-24,30-31,34,36,38-39,41,43-44,46-67H2,1-3H3,(H,72,73)(H,76,77)/p-1/b10-7-,19-16-,20-17-,28-25-,29-26-,33-32-,37-35-,40-27-,45-42-/t68-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)COP(=O)([O-])OCCNC(=O)CCCCCCC/C=C\CCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C71H122NO9P/c1-4-7-10-13-16-19-22-25-28-30-32-33-34-35-37-39-42-45-48-51-54-57-60-63-71(75)81-68(66-78-70(74)62-59-56-53-50-47-44-41-38-36-31-29-26-23-20-17-14-11-8-5-2)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/h7,10,16-17,19-20,25-29,32-33,35,37,40,42,45,68H,4-6,8-9,11-15,18,21-24,30-31,34,36,38-39,41,43-44,46-67H2,1-3H3,(H,72,73)(H,76,77)/b10-7-,19-16-,20-17-,28-25-,29-26-,33-32-,37-35-,40-27-,45-42-/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:32]=[CH:33]\[CH2:34]/[CH:35]=[CH:37]\[CH2:39]/[CH:42]=[CH: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][CH2:44][CH2:41][CH2:38][CH2:36][CH2:31]/[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]/[CH:40]=[CH:27]\[CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[OH:73] |
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