| Properties | Image |
|---|
| MNX_ID | MNXM939214 |
 |
| reference | slm:000631599 |
| formula | C85H145NO9P |
| global charge | -1 |
| mol weight | 1356.067 |
| InChIKey | DQKMFOJAPSAXQT-UWQGNHFXSA-M |
| InChI | InChI=1S/C85H146NO9P/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-38-39-40-41-42-43-44-46-47-49-51-53-55-58-61-64-67-70-73-76-84(88)92-80-82(81-94-96(90,91)93-79-78-86-83(87)75-72-69-66-63-60-57-24-21-18-15-12-9-6-3)95-85(89)77-74-71-68-65-62-59-56-54-52-50-48-45-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,31-34,37-38,45,48,52,54,82H,4-6,9,12-15,18,21-24,29-30,35-36,39-44,46-47,49-51,53,55-81H2,1-3H3,(H,86,87)(H,90,91)/p-1/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,38-37-,48-45-,54-52-/t82-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COP(=O)([O-])OCCNC(=O)CCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C85H146NO9P/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-38-39-40-41-42-43-44-46-47-49-51-53-55-58-61-64-67-70-73-76-84(88)92-80-82(81-94-96(90,91)93-79-78-86-83(87)75-72-69-66-63-60-57-24-21-18-15-12-9-6-3)95-85(89)77-74-71-68-65-62-59-56-54-52-50-48-45-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,31-34,37-38,45,48,52,54,82H,4-6,9,12-15,18,21-24,29-30,35-36,39-44,46-47,49-51,53,55-81H2,1-3H3,(H,86,87)(H,90,91)/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,38-37-,48-45-,54-52-/t82-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:27]\[CH2:29]/[CH:31]=[CH:33]\[CH2:35]/[CH:37]=[CH:38]\[CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][CH2:44][CH2:46][CH2:47][CH2:49][CH2:51][CH2:53][CH2:55][CH2:58][CH2:61][CH2:64][CH2:67][CH2:70][CH2:73][CH2:76][C:84](=[O:88])[O:92][CH2:80][C@H:82]([CH2:81][O:94][P:96]([OH:90])(=[O:91])[O:93][CH2:79][CH2:78][N:86]=[C:83]([CH2:75][CH2:72][CH2:69][CH2:66][CH2:63][CH2:60][CH2:57][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[OH:87])[O:95][C:85]([CH2:77][CH2:74][CH2:71][CH2:68][CH2:65][CH2:62][CH2:59][CH2:56]/[CH:54]=[CH:52]\[CH2:50]/[CH:48]=[CH:45]\[CH2:36]/[CH:34]=[CH:32]\[CH2:30]/[CH:28]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14]/[CH:11]=[CH:8]\[CH2:5][CH3:2])=[O:89] |
|