| Properties | Image |
|---|
| MNX_ID | MNXM965445 |
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| reference | slm:000657830 |
| formula | C71H121NO9P |
| global charge | -1 |
| mol weight | 1163.721 |
| InChIKey | CWDHTOWAYFDDNL-IPWBSRSISA-M |
| InChI | InChI=1S/C71H122NO9P/c1-4-7-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-46-48-50-52-54-56-59-62-70(74)78-66-68(67-80-82(76,77)79-65-64-72-69(73)61-58-9-6-3)81-71(75)63-60-57-55-53-51-49-47-45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-8-5-2/h14-17,20-23,26-29,32-35,39,41,68H,4-13,18-19,24-25,30-31,36-38,40,42-67H2,1-3H3,(H,72,73)(H,76,77)/p-1/b16-14-,17-15-,22-20-,23-21-,28-26-,29-27-,34-32-,35-33-,41-39-/t68-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COP(=O)([O-])OCCNC(=O)CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C71H122NO9P/c1-4-7-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-46-48-50-52-54-56-59-62-70(74)78-66-68(67-80-82(76,77)79-65-64-72-69(73)61-58-9-6-3)81-71(75)63-60-57-55-53-51-49-47-45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-8-5-2/h14-17,20-23,26-29,32-35,39,41,68H,4-13,18-19,24-25,30-31,36-38,40,42-67H2,1-3H3,(H,72,73)(H,76,77)/b16-14-,17-15-,22-20-,23-21-,28-26-,29-27-,34-32-,35-33-,41-39-/t68-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:12]/[CH:14]=[CH:16]\[CH2:18]/[CH:20]=[CH:22]\[CH2:24]/[CH:26]=[CH:28]\[CH2:30]/[CH:32]=[CH:34]\[CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][CH2:50][CH2:52][CH2:54][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][CH2:9][CH2:6][CH3:3])[OH:73])[O:81][C:71]([CH2:63][CH2:60][CH2:57][CH2:55][CH2:53][CH2:51][CH2:49][CH2:47][CH2:45][CH2:43]/[CH:41]=[CH:39]\[CH2:37]/[CH:35]=[CH:33]\[CH2:31]/[CH:29]=[CH:27]\[CH2:25]/[CH:23]=[CH:21]\[CH2:19]/[CH:17]=[CH:15]\[CH2:13][CH2:11][CH2:8][CH2:5][CH3:2])=[O:75] |
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