| Properties | Image |
|---|
| MNX_ID | MNXM966432 |
 |
| reference | slm:000658817 |
| formula | C75H125NO9P |
| global charge | -1 |
| mol weight | 1215.797 |
| InChIKey | NEVWMLJJSYWBLS-CUFXHQEGSA-M |
| InChI | InChI=1S/C75H126NO9P/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-35-36-37-38-39-40-41-43-45-48-51-54-57-60-63-66-74(78)82-70-72(85-75(79)67-64-61-58-55-52-49-46-42-29-26-23-20-17-14-11-8-5-2)71-84-86(80,81)83-69-68-76-73(77)65-62-59-56-53-50-47-44-27-24-21-18-15-12-9-6-3/h9,12,16-21,25-29,31-32,34-35,44,46,49,55,58,72H,4-8,10-11,13-15,22-24,30,33,36-43,45,47-48,50-54,56-57,59-71H2,1-3H3,(H,76,77)(H,80,81)/p-1/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,32-31-,35-34-,44-27-,49-46-,58-55-/t72-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)NCCOP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C75H126NO9P/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-35-36-37-38-39-40-41-43-45-48-51-54-57-60-63-66-74(78)82-70-72(85-75(79)67-64-61-58-55-52-49-46-42-29-26-23-20-17-14-11-8-5-2)71-84-86(80,81)83-69-68-76-73(77)65-62-59-56-53-50-47-44-27-24-21-18-15-12-9-6-3/h9,12,16-21,25-29,31-32,34-35,44,46,49,55,58,72H,4-8,10-11,13-15,22-24,30,33,36-43,45,47-48,50-54,56-57,59-71H2,1-3H3,(H,76,77)(H,80,81)/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,32-31-,35-34-,44-27-,49-46-,58-55-/t72-/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:31]=[CH:32]\[CH2:33]/[CH:34]=[CH:35]\[CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:43][CH2:45][CH2:48][CH2:51][CH2:54][CH2:57][CH2:60][CH2:63][CH2:66][C:74](=[O:78])[O:82][CH2:70][C@H:72]([CH2:71][O:84][P:86]([OH:80])(=[O:81])[O:83][CH2:69][CH2:68][N:76]=[C:73]([CH2:65][CH2:62][CH2:59][CH2:56][CH2:53][CH2:50][CH2:47]/[CH:44]=[CH:27]\[CH2:24]/[CH:21]=[CH:18]\[CH2:15]/[CH:12]=[CH:9]\[CH2:6][CH3:3])[OH:77])[O:85][C:75]([CH2:67][CH2:64][CH2:61]/[CH:58]=[CH:55]\[CH2:52]/[CH:49]=[CH:46]\[CH2:42]/[CH:29]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:79] |
|