| Properties | Image |
|---|
| MNX_ID | MNXM175327 |
 |
| reference | slm:000494706 |
| formula | C81H136O19P3 |
| global charge | -5 |
| mol weight | 1506.882 |
| InChIKey | LVLKPNBMVLLRSZ-BGLNFJJQSA-I |
| InChI | InChI=1S/C81H141O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-74(82)95-71-73(72-96-103(93,94)100-81-77(85)79(98-101(87,88)89)76(84)80(78(81)86)99-102(90,91)92)97-75(83)70-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-26,29-32,35-38,73,76-81,84-86H,3-10,15-16,21-22,27-28,33-34,39-72H2,1-2H3,(H,93,94)(H2,87,88,89)(H2,90,91,92)/p-5/b13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-,37-35-,38-36-/t73-,76-,77-,78-,79-,80+,81-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](OP(=O)([O-])[O-])[C@@H](O)[C@H](OP(=O)([O-])[O-])[C@H]1O)OC(=O)CCCCCCCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C81H141O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-74(82)95-71-73(72-96-103(93,94)100-81-77(85)79(98-101(87,88)89)76(84)80(78(81)86)99-102(90,91)92)97-75(83)70-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-26,29-32,35-38,73,76-81,84-86H,3-10,15-16,21-22,27-28,33-34,39-72H2,1-2H3,(H,93,94)(H2,87,88,89)(H2,90,91,92)/b13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-,37-35-,38-36-/t73-,76-,77-,78-,79-,80+,81-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:19]\[CH2:21]/[CH:23]=[CH:25]\[CH2:27]/[CH:29]=[CH:31]\[CH2:33]/[CH:35]=[CH:37]\[CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][CH2:49][CH2:51][CH2:53][CH2:55][CH2:57][CH2:59][CH2:61][CH2:63][CH2:65][CH2:67][CH2:69][C:74](=[O:82])[O:95][CH2:71][C@H:73]([CH2:72][O:96][P:103]([OH:93])(=[O:94])[O:100][C@@H:81]1[C@H:77]([OH:85])[C@H:79]([O:98][P:101]([OH:87])([OH:88])=[O:89])[C@@H:76]([OH:84])[C@H:80]([O:99][P:102]([OH:90])([OH:91])=[O:92])[C@H:78]1[OH:86])[O:97][C:75]([CH2:70][CH2:68][CH2:66][CH2:64][CH2:62][CH2:60][CH2:58][CH2:56][CH2:54][CH2:52][CH2:50][CH2:48][CH2:46][CH2:44][CH2:42][CH2:40]/[CH:38]=[CH:36]\[CH2:34]/[CH:32]=[CH:30]\[CH2:28]/[CH:26]=[CH:24]\[CH2:22]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:83] |
|