| Properties | Image |
|---|
| MNX_ID | MNXM317168 |
 |
| reference | slm:000004965 |
| formula | C46H77NO10P |
| global charge | -1 |
| mol weight | 835.093 |
| InChIKey | PWLDJBRVMRSKCP-SPDHCYFDSA-M |
| InChI | InChI=1S/C46H78NO10P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-27-29-31-33-35-37-44(48)54-39-42(40-55-58(52,53)56-41-43(47)46(50)51)57-45(49)38-36-34-32-30-28-25-16-14-12-10-8-6-4-2/h8,10-11,13-14,16-18,20-21,23-24,42-43H,3-7,9,12,15,19,22,25-41,47H2,1-2H3,(H,50,51)(H,52,53)/p-1/b10-8-,13-11-,16-14-,18-17-,21-20-,24-23-/t42-,43+/m1/s1 |
| SMILES | CCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COP(=O)([O-])OC[C@H]([NH3+])C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C46H78NO10P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-27-29-31-33-35-37-44(48)54-39-42(40-55-58(52,53)56-41-43(47)46(50)51)57-45(49)38-36-34-32-30-28-25-16-14-12-10-8-6-4-2/h8,10-11,13-14,16-18,20-21,23-24,42-43H,3-7,9,12,15,19,22,25-41,47H2,1-2H3,(H,50,51)(H,52,53)/b10-8-,13-11-,16-14-,18-17-,21-20-,24-23-/t42-,43+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:18]\[CH2:19]/[CH:20]=[CH:21]\[CH2:22]/[CH:23]=[CH:24]\[CH2:26][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][C:44](=[O:48])[O:54][CH2:39][C@H:42]([CH2:40][O:55][P:58]([OH:52])(=[O:53])[O:56][CH2:41][C@@H:43]([C:46](=[O:50])[OH:51])[NH2:47])[O:57][C:45]([CH2:38][CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][CH2:25]/[CH:16]=[CH:14]\[CH2:12]/[CH:10]=[CH:8]\[CH2:6][CH2:4][CH3:2])=[O:49] |
|