| Properties | Image |
|---|
| MNX_ID | MNXM956465 |
 |
| reference | slm:000648850 |
| formula | C57H93NO9P |
| global charge | -1 |
| mol weight | 967.343 |
| InChIKey | QTNPZNIAWOSMSQ-QJNQKTHVSA-M |
| InChI | InChI=1S/C57H94NO9P/c1-4-7-10-13-16-18-20-22-24-26-27-29-30-32-34-36-39-41-44-47-55(59)58-50-51-65-68(62,63)66-53-54(67-57(61)49-46-43-38-15-12-9-6-3)52-64-56(60)48-45-42-40-37-35-33-31-28-25-23-21-19-17-14-11-8-5-2/h7,10,16-19,22-25,27,29,31-34,39,41,54H,4-6,8-9,11-15,20-21,26,28,30,35-38,40,42-53H2,1-3H3,(H,58,59)(H,62,63)/p-1/b10-7-,18-16-,19-17-,24-22-,25-23-,29-27-,33-31-,34-32-,41-39-/t54-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)NCCOP(=O)([O-])OC[C@@H](COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)OC(=O)CCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C57H94NO9P/c1-4-7-10-13-16-18-20-22-24-26-27-29-30-32-34-36-39-41-44-47-55(59)58-50-51-65-68(62,63)66-53-54(67-57(61)49-46-43-38-15-12-9-6-3)52-64-56(60)48-45-42-40-37-35-33-31-28-25-23-21-19-17-14-11-8-5-2/h7,10,16-19,22-25,27,29,31-34,39,41,54H,4-6,8-9,11-15,20-21,26,28,30,35-38,40,42-53H2,1-3H3,(H,58,59)(H,62,63)/b10-7-,18-16-,19-17-,24-22-,25-23-,29-27-,33-31-,34-32-,41-39-/t54-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:13]/[CH:16]=[CH:18]\[CH2:20]/[CH:22]=[CH:24]\[CH2:26]/[CH:27]=[CH:29]\[CH2:30]/[CH:32]=[CH:34]\[CH2:36]/[CH:39]=[CH:41]\[CH2:44][CH2:47][C:55](=[N:58][CH2:50][CH2:51][O:65][P:68]([OH:62])(=[O:63])[O:66][CH2:53][C@@H:54]([CH2:52][O:64][C:56]([CH2:48][CH2:45][CH2:42][CH2:40][CH2:37][CH2:35]/[CH:33]=[CH:31]\[CH2:28]/[CH:25]=[CH:23]\[CH2:21]/[CH:19]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:60])[O:67][C:57]([CH2:49][CH2:46][CH2:43][CH2:38][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:61])[OH:59] |
|