| Properties | Image |
|---|
| MNX_ID | MNXM962232 |
 |
| reference | slm:000654617 |
| formula | C81H135NO9P |
| global charge | -1 |
| mol weight | 1297.943 |
| InChIKey | SIHXBPABWQTADX-OFZMXVKHSA-M |
| InChI | InChI=1S/C81H136NO9P/c1-4-7-10-13-16-19-22-25-28-30-32-34-35-36-37-38-39-40-41-42-43-45-47-49-52-55-58-61-64-67-70-73-81(85)91-78(76-88-80(84)72-69-66-63-60-57-54-51-48-46-44-33-31-29-26-23-20-17-14-11-8-5-2)77-90-92(86,87)89-75-74-82-79(83)71-68-65-62-59-56-53-50-27-24-21-18-15-12-9-6-3/h9,12,16-21,25-29,32-34,36-37,39-40,44,48,50-51,78H,4-8,10-11,13-15,22-24,30-31,35,38,41-43,45-47,49,52-77H2,1-3H3,(H,82,83)(H,86,87)/p-1/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,37-36-,40-39-,44-33-,50-27-,51-48-/t78-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)NCCOP(=O)([O-])OC[C@@H](COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)OC(=O)CCCCCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C81H136NO9P/c1-4-7-10-13-16-19-22-25-28-30-32-34-35-36-37-38-39-40-41-42-43-45-47-49-52-55-58-61-64-67-70-73-81(85)91-78(76-88-80(84)72-69-66-63-60-57-54-51-48-46-44-33-31-29-26-23-20-17-14-11-8-5-2)77-90-92(86,87)89-75-74-82-79(83)71-68-65-62-59-56-53-50-27-24-21-18-15-12-9-6-3/h9,12,16-21,25-29,32-34,36-37,39-40,44,48,50-51,78H,4-8,10-11,13-15,22-24,30-31,35,38,41-43,45-47,49,52-77H2,1-3H3,(H,82,83)(H,86,87)/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,37-36-,40-39-,44-33-,50-27-,51-48-/t78-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:28]\[CH2:30]/[CH:32]=[CH:34]\[CH2:35]/[CH:36]=[CH:37]\[CH2:38]/[CH:39]=[CH:40]\[CH2:41][CH2:42][CH2:43][CH2:45][CH2:47][CH2:49][CH2:52][CH2:55][CH2:58][CH2:61][CH2:64][CH2:67][CH2:70][CH2:73][C:81](=[O:85])[O:91][C@H:78]([CH2:76][O:88][C:80]([CH2:72][CH2:69][CH2:66][CH2:63][CH2:60][CH2:57][CH2:54]/[CH:51]=[CH:48]\[CH2:46]/[CH:44]=[CH:33]\[CH2:31]/[CH:29]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:84])[CH2:77][O:90][P:92]([OH:86])(=[O:87])[O:89][CH2:75][CH2:74][N:82]=[C:79]([CH2:71][CH2:68][CH2:65][CH2:62][CH2:59][CH2:56][CH2:53]/[CH:50]=[CH:27]\[CH2:24]/[CH:21]=[CH:18]\[CH2:15]/[CH:12]=[CH:9]\[CH2:6][CH3:3])[OH:83] |
|