| Properties | Image |
|---|
| MNX_ID | MNXM345118 |
 |
| reference | slm:000475811 |
| formula | C48H85O13P2 |
| global charge | -3 |
| mol weight | 932.143 |
| InChIKey | IAYGSUYFXPHNEP-GBNDHISQSA-K |
| InChI | InChI=1S/C48H88O13P2/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-34-36-38-40-48(51)61-46(43-57-47(50)39-37-35-33-10-8-6-4-2)44-60-63(55,56)59-42-45(49)41-58-62(52,53)54/h11-12,14-15,17-18,20-21,45-46,49H,3-10,13,16,19,22-44H2,1-2H3,(H,55,56)(H2,52,53,54)/p-3/b12-11-,15-14-,18-17-,21-20-/t45-,46+/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC)COP(=O)([O-])OC[C@@H](O)COP(=O)([O-])[O-] |
MNX internals
| InChI (mnx) | InChI=1/C48H88O13P2/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-34-36-38-40-48(51)61-46(43-57-47(50)39-37-35-33-10-8-6-4-2)44-60-63(55,56)59-42-45(49)41-58-62(52,53)54/h11-12,14-15,17-18,20-21,45-46,49H,3-10,13,16,19,22-44H2,1-2H3,(H,55,56)(H2,52,53,54)/b12-11-,15-14-,18-17-,21-20-/t45-,46+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[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][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][C:48](=[O:51])[O:61][C@H:46]([CH2:43][O:57][C:47]([CH2:39][CH2:37][CH2:35][CH2:33][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:50])[CH2:44][O:60][P:63]([OH:55])(=[O:56])[O:59][CH2:42][C@H:45]([CH2:41][O:58][P:62]([OH:52])([OH:53])=[O:54])[OH:49] |
|