| Properties | Image |
|---|
| MNX_ID | MNXM960197 |
 |
| reference | slm:000652582 |
| formula | C57H93NO9P |
| global charge | -1 |
| mol weight | 967.343 |
| InChIKey | BJFAUMWMRQYBBE-FAWOZYPTSA-M |
| InChI | InChI=1S/C57H94NO9P/c1-4-7-10-13-16-18-20-22-24-26-27-29-30-32-34-36-39-42-45-48-56(60)64-52-54(53-66-68(62,63)65-51-50-58-55(59)47-44-41-38-15-12-9-6-3)67-57(61)49-46-43-40-37-35-33-31-28-25-23-21-19-17-14-11-8-5-2/h8,11,16-19,22-25,27,29,31-34,37,40,54H,4-7,9-10,12-15,20-21,26,28,30,35-36,38-39,41-53H2,1-3H3,(H,58,59)(H,62,63)/p-1/b11-8-,18-16-,19-17-,24-22-,25-23-,29-27-,33-31-,34-32-,40-37-/t54-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COP(=O)([O-])OCCNC(=O)CCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C57H94NO9P/c1-4-7-10-13-16-18-20-22-24-26-27-29-30-32-34-36-39-42-45-48-56(60)64-52-54(53-66-68(62,63)65-51-50-58-55(59)47-44-41-38-15-12-9-6-3)67-57(61)49-46-43-40-37-35-33-31-28-25-23-21-19-17-14-11-8-5-2/h8,11,16-19,22-25,27,29,31-34,37,40,54H,4-7,9-10,12-15,20-21,26,28,30,35-36,38-39,41-53H2,1-3H3,(H,58,59)(H,62,63)/b11-8-,18-16-,19-17-,24-22-,25-23-,29-27-,33-31-,34-32-,40-37-/t54-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][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][CH2:39][CH2:42][CH2:45][CH2:48][C:56](=[O:60])[O:64][CH2:52][C@H:54]([CH2:53][O:66][P:68]([OH:62])(=[O:63])[O:65][CH2:51][CH2:50][N:58]=[C:55]([CH2:47][CH2:44][CH2:41][CH2:38][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[OH:59])[O:67][C:57]([CH2:49][CH2:46][CH2:43]/[CH:40]=[CH:37]\[CH2:35]/[CH:33]=[CH:31]\[CH2:28]/[CH:25]=[CH:23]\[CH2:21]/[CH:19]=[CH:17]\[CH2:14]/[CH:11]=[CH:8]\[CH2:5][CH3:2])=[O:61] |
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