| Properties | Image |
|---|
| MNX_ID | MNXM48803 |
 |
| reference | lipidmapsM:LMSL03000020 |
| formula | C56H106O13 |
| global charge | 0 |
| mol weight | 987.451 |
| InChIKey | HLFVDJWLLBLICC-WBPQFDPKSA-N |
| InChI | InChI=1S/C56H106O13/c1-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-43(3)40-44(4)54(64)68-52-49(61)46(42-58)66-56(69-55-51(63)50(62)48(60)45(41-57)65-55)53(52)67-47(59)39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-2/h43-46,48-53,55-58,60-63H,5-42H2,1-4H3/t43-,44-,45+,46+,48+,49+,50-,51+,52-,53+,55+,56+/m0/s1 |
| SMILES | CCCCCCCCCCCCCCCCCCC[C@H](C)C[C@H](C)C(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1OC(=O)CCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C56H106O13/c1-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-43(3)40-44(4)54(64)68-52-49(61)46(42-58)66-56(69-55-51(63)50(62)48(60)45(41-57)65-55)53(52)67-47(59)39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-2/h43-46,48-53,55-58,60-63H,5-42H2,1-4H3/t43-,44-,45+,46+,48+,49+,50-,51+,52-,53+,55+,56+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:21][CH2:23][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][C@H:43]([CH3:3])[CH2:40][C@H:44]([CH3:4])[C:54](=[O:64])[O:68][C@H:52]1[C@H:49]([OH:61])[C@@H:46]([CH2:42][OH:58])[O:66][C@H:56]([O:69][C@@H:55]2[C@H:51]([OH:63])[C@@H:50]([OH:62])[C@H:48]([OH:60])[C@@H:45]([CH2:41][OH:57])[O:65]2)[C@@H:53]1[O:67][C:47]([CH2:39][CH2:37][CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:22][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])=[O:59] |
|