| Properties | Image |
|---|
| MNX_ID | MNXM345147 |
 |
| reference | slm:000019145 |
| formula | C55H94O13P |
| global charge | -1 |
| mol weight | 994.318 |
| InChIKey | VKAMLKFWYHTWRA-NEZVBVLFSA-M |
| InChI | InChI=1S/C55H95O13P/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-38-40-42-44-49(57)67-47(45-65-48(56)43-41-39-37-10-8-6-4-2)46-66-69(63,64)68-55-53(61)51(59)50(58)52(60)54(55)62/h5,7,11-12,14-15,17-18,20-21,23-24,47,50-55,58-62H,3-4,6,8-10,13,16,19,22,25-46H2,1-2H3,(H,63,64)/p-1/b7-5-,12-11-,15-14-,18-17-,21-20-,24-23-/t47-,50-,51-,52+,53-,54-,55-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC)COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C55H95O13P/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-38-40-42-44-49(57)67-47(45-65-48(56)43-41-39-37-10-8-6-4-2)46-66-69(63,64)68-55-53(61)51(59)50(58)52(60)54(55)62/h5,7,11-12,14-15,17-18,20-21,23-24,47,50-55,58-62H,3-4,6,8-10,13,16,19,22,25-46H2,1-2H3,(H,63,64)/b7-5-,12-11-,15-14-,18-17-,21-20-,24-23-/t47-,50-,51-,52+,53-,54-,55-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3]/[CH:5]=[CH: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]/[CH:23]=[CH:24]\[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][C:49](=[O:57])[O:67][C@H:47]([CH2:45][O:65][C:48]([CH2:43][CH2:41][CH2:39][CH2:37][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:56])[CH2:46][O:66][P:69]([OH:63])(=[O:64])[O:68][C@@H:55]1[C@H:53]([OH:61])[C@H:51]([OH:59])[C@@H:50]([OH:58])[C@H:52]([OH:60])[C@H:54]1[OH:62] |
|