| Properties | Image |
|---|
| MNX_ID | MNXM964634 |
 |
| reference | slm:000657019 |
| formula | C46H81NO9P |
| global charge | -1 |
| mol weight | 823.126 |
| InChIKey | BLLAOIWDBAYUNQ-OSHYVLSNSA-M |
| InChI | InChI=1S/C46H82NO9P/c1-4-7-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-34-36-38-46(50)53-41-43(56-45(49)6-3)42-55-57(51,52)54-40-39-47-44(48)37-35-33-10-8-5-2/h12-13,15-16,18-19,21-22,43H,4-11,14,17,20,23-42H2,1-3H3,(H,47,48)(H,51,52)/p-1/b13-12-,16-15-,19-18-,22-21-/t43-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)CCCCCCC)OC(=O)CC |
MNX internals
| InChI (mnx) | InChI=1/C46H82NO9P/c1-4-7-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-34-36-38-46(50)53-41-43(56-45(49)6-3)42-55-57(51,52)54-40-39-47-44(48)37-35-33-10-8-5-2/h12-13,15-16,18-19,21-22,43H,4-11,14,17,20,23-42H2,1-3H3,(H,47,48)(H,51,52)/b13-12-,16-15-,19-18-,22-21-/t43-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH2:11]/[CH:12]=[CH:13]\[CH2:14]/[CH:15]=[CH:16]\[CH2:17]/[CH:18]=[CH:19]\[CH2:20]/[CH:21]=[CH:22]\[CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:34][CH2:36][CH2:38][C:46](=[O:50])[O:53][CH2:41][C@H:43]([CH2:42][O:55][P:57]([OH:51])(=[O:52])[O:54][CH2:40][CH2:39][N:47]=[C:44]([CH2:37][CH2:35][CH2:33][CH2:10][CH2:8][CH2:5][CH3:2])[OH:48])[O:56][C:45]([CH2:6][CH3:3])=[O:49] |
|