| Properties | Image |
|---|
| MNX_ID | MNXM962085 |
 |
| reference | slm:000654470 |
| formula | C48H85NO9P |
| global charge | -1 |
| mol weight | 851.18 |
| InChIKey | IEVBNJNNSPLLBQ-QFPLKGEMSA-M |
| InChI | InChI=1S/C48H86NO9P/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27-30-34-38-47(51)55-42-45(58-48(52)39-35-31-28-25-26-29-33-36-44(3)4)43-57-59(53,54)56-41-40-49-46(50)37-32-8-6-2/h11-12,14-15,17-18,20-21,44-45H,5-10,13,16,19,22-43H2,1-4H3,(H,49,50)(H,53,54)/p-1/b12-11-,15-14-,18-17-,21-20-/t45-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)CCCCC)OC(=O)CCCCCCCCCC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C48H86NO9P/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27-30-34-38-47(51)55-42-45(58-48(52)39-35-31-28-25-26-29-33-36-44(3)4)43-57-59(53,54)56-41-40-49-46(50)37-32-8-6-2/h11-12,14-15,17-18,20-21,44-45H,5-10,13,16,19,22-43H2,1-4H3,(H,49,50)(H,53,54)/b12-11-,15-14-,18-17-,21-20-/t45-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:5][CH2:7][CH2:9][CH2:10]/[CH:11]=[CH:12]\[CH2:13]/[CH:14]=[CH:15]\[CH2:16]/[CH:17]=[CH:18]\[CH2:19]/[CH:20]=[CH:21]\[CH2:22][CH2:23][CH2:24][CH2:27][CH2:30][CH2:34][CH2:38][C:47](=[O:51])[O:55][CH2:42][C@H:45]([CH2:43][O:57][P:59]([OH:53])(=[O:54])[O:56][CH2:41][CH2:40][N:49]=[C:46]([CH2:37][CH2:32][CH2:8][CH2:6][CH3:2])[OH:50])[O:58][C:48]([CH2:39][CH2:35][CH2:31][CH2:28][CH2:25][CH2:26][CH2:29][CH2:33][CH2:36][CH:44]([CH3:3])[CH3:4])=[O:52] |
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