| Properties | Image |
|---|
| MNX_ID | MNXM48796 |
 |
| reference | lipidmapsM:LMSL03000013 |
| formula | C55H104O13 |
| global charge | 0 |
| mol weight | 973.424 |
| InChIKey | JDPFRZKAEXULBZ-JBQLPPLGSA-N |
| InChI | InChI=1S/C55H104O13/c1-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-42(3)39-43(4)53(63)67-51-48(60)45(41-57)65-55(68-54-50(62)49(61)47(59)44(40-56)64-54)52(51)66-46(58)38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-2/h42-45,47-52,54-57,59-62H,5-41H2,1-4H3/t42-,43-,44+,45+,47+,48+,49-,50+,51-,52+,54+,55+/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)CCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C55H104O13/c1-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-42(3)39-43(4)53(63)67-51-48(60)45(41-57)65-55(68-54-50(62)49(61)47(59)44(40-56)64-54)52(51)66-46(58)38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-2/h42-45,47-52,54-57,59-62H,5-41H2,1-4H3/t42-,43-,44+,45+,47+,48+,49-,50+,51-,52+,54+,55+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:21][CH2:22][CH2:24][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][C@H:42]([CH3:3])[CH2:39][C@H:43]([CH3:4])[C:53](=[O:63])[O:67][C@H:51]1[C@H:48]([OH:60])[C@@H:45]([CH2:41][OH:57])[O:65][C@H:55]([O:68][C@@H:54]2[C@H:50]([OH:62])[C@@H:49]([OH:61])[C@H:47]([OH:59])[C@@H:44]([CH2:40][OH:56])[O:64]2)[C@@H:52]1[O:66][C:46]([CH2:38][CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:23][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])=[O:58] |
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