| Properties | Image |
|---|
| MNX_ID | MNXM958834 |
 |
| reference | slm:000651219 |
| formula | C57H95NO9P |
| global charge | -1 |
| mol weight | 969.359 |
| InChIKey | UMEZMRNMHDPVMN-HMXJJOEKSA-M |
| InChI | InChI=1S/C57H96NO9P/c1-4-7-10-13-16-19-21-23-25-27-29-31-33-36-38-41-44-47-55(59)58-50-51-65-68(62,63)66-53-54(67-57(61)49-46-43-40-35-18-15-12-9-6-3)52-64-56(60)48-45-42-39-37-34-32-30-28-26-24-22-20-17-14-11-8-5-2/h16-17,19-20,23-26,29-32,36-39,54H,4-15,18,21-22,27-28,33-35,40-53H2,1-3H3,(H,58,59)(H,62,63)/p-1/b19-16-,20-17-,25-23-,26-24-,31-29-,32-30-,38-36-,39-37-/t54-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCOP(=O)([O-])OC[C@@H](COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)OC(=O)CCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C57H96NO9P/c1-4-7-10-13-16-19-21-23-25-27-29-31-33-36-38-41-44-47-55(59)58-50-51-65-68(62,63)66-53-54(67-57(61)49-46-43-40-35-18-15-12-9-6-3)52-64-56(60)48-45-42-39-37-34-32-30-28-26-24-22-20-17-14-11-8-5-2/h16-17,19-20,23-26,29-32,36-39,54H,4-15,18,21-22,27-28,33-35,40-53H2,1-3H3,(H,58,59)(H,62,63)/b19-16-,20-17-,25-23-,26-24-,31-29-,32-30-,38-36-,39-37-/t54-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:21]/[CH:23]=[CH:25]\[CH2:27]/[CH:29]=[CH:31]\[CH2:33]/[CH:36]=[CH:38]\[CH2:41][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]/[CH:39]=[CH:37]\[CH2:34]/[CH:32]=[CH:30]\[CH2:28]/[CH:26]=[CH:24]\[CH2:22]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:60])[O:67][C:57]([CH2:49][CH2:46][CH2:43][CH2:40][CH2:35][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:61])[OH:59] |
|