| Properties | Image |
|---|
| MNX_ID | MNXM1105272 |
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| reference | slm:000509657 |
| formula | C79H144O17P2 |
| global charge | -2 |
| mol weight | 1427.952 |
| InChIKey | ABYSSSNXOREBEU-MYAUKNIWSA-L |
| InChI | InChI=1S/C79H146O17P2/c1-5-9-13-17-21-25-29-33-36-40-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(69-89-76(81)63-59-55-51-47-43-39-32-28-24-20-16-12-8-4)95-78(83)65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2/h22-23,26-27,34-35,37-38,73-75,80H,5-21,24-25,28-33,36,39-72H2,1-4H3,(H,85,86)(H,87,88)/p-2/b26-22-,27-23-,37-34-,38-35-/t73?,74-,75-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC(O)COP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C79H146O17P2/c1-5-9-13-17-21-25-29-33-36-40-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(69-89-76(81)63-59-55-51-47-43-39-32-28-24-20-16-12-8-4)95-78(83)65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2/h22-23,26-27,34-35,37-38,73-75,80H,5-21,24-25,28-33,36,39-72H2,1-4H3,(H,85,86)(H,87,88)/b26-22-,27-23-,37-34-,38-35-/t73?,74-,75-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:5][CH2:9][CH2:13][CH2:17][CH2:21][CH2:25][CH2:29][CH2:33][CH2:36][CH2:40][CH2:44][CH2:48][CH2:52][CH2:56][CH2:60][CH2:64][C:77](=[O:82])[O:90][CH2:70][C@H:75]([CH2:72][O:94][P:98]([OH:87])(=[O:88])[O:92][CH2:68][CH:73]([CH2:67][O:91][P:97]([OH:85])(=[O:86])[O:93][CH2:71][C@@H:74]([CH2:69][O:89][C:76]([CH2:63][CH2:59][CH2:55][CH2:51][CH2:47][CH2:43][CH2:39][CH2:32][CH2:28][CH2:24][CH2:20][CH2:16][CH2:12][CH2:8][CH3:4])=[O:81])[O:95][C:78]([CH2:65][CH2:61][CH2:57][CH2:53][CH2:49][CH2:45][CH2:41]/[CH:37]=[CH:34]\[CH2:30]/[CH:26]=[CH:22]\[CH2:18][CH2:14][CH2:10][CH2:6][CH3:2])=[O:83])[OH:80])[O:96][C:79]([CH2:66][CH2:62][CH2:58][CH2:54][CH2:50][CH2:46][CH2:42]/[CH:38]=[CH:35]\[CH2:31]/[CH:27]=[CH:23]\[CH2:19][CH2:15][CH2:11][CH2:7][CH3:3])=[O:84] |
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