| Properties | Image |
|---|
| MNX_ID | MNXM175207 |
 |
| reference | slm:000495361 |
| formula | C77H129O16P2 |
| global charge | -3 |
| mol weight | 1372.811 |
| InChIKey | KLKWBUNLSPFWAZ-NXYVVSAMSA-K |
| InChI | InChI=1S/C77H132O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-70(78)89-67-69(68-90-95(87,88)93-77-74(82)72(80)73(81)76(75(77)83)92-94(84,85)86)91-71(79)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/h11-14,17-20,23-26,29-32,35-38,69,72-77,80-83H,3-10,15-16,21-22,27-28,33-34,39-68H2,1-2H3,(H,87,88)(H2,84,85,86)/p-3/b13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-,37-35-,38-36-/t69-,72+,73+,74-,75-,76-,77+/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCC(=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](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C77H132O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-70(78)89-67-69(68-90-95(87,88)93-77-74(82)72(80)73(81)76(75(77)83)92-94(84,85)86)91-71(79)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/h11-14,17-20,23-26,29-32,35-38,69,72-77,80-83H,3-10,15-16,21-22,27-28,33-34,39-68H2,1-2H3,(H,87,88)(H2,84,85,86)/b13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-,37-35-,38-36-/t69-,72+,73+,74-,75-,76-,77+/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][C:70](=[O:78])[O:89][CH2:67][C@H:69]([CH2:68][O:90][P:95]([OH:87])(=[O:88])[O:93][C@H:77]1[C@H:74]([OH:82])[C@@H:72]([OH:80])[C@H:73]([OH:81])[C@@H:76]([O:92][P:94]([OH:84])([OH:85])=[O:86])[C@H:75]1[OH:83])[O:91][C:71]([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:79] |
|