| Properties | Image |
MNX_ID | MNXM104403 |
 |
reference | lipidmapsM:LMGL02010430 |
formula | C35H64O5 |
global charge | 0 |
mol weight | 564.892 |
InChIKey | OKQVLYAHOWEMGJ-KZNREHGGSA-N |
InChI | InChI=1S/C35H64O5/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-35(38)40-33(31-36)32-39-34(37)29-27-25-23-21-19-16-14-12-10-8-6-4-2/h9,11,15,17,33,36H,3-8,10,12-14,16,18-32H2,1-2H3/b11-9-,17-15-/t33-/m0/s1 |
SMILES | CCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCCC |
MNX internals
InChI (mnx) | InChI=1/C35H64O5/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-35(38)40-33(31-36)32-39-34(37)29-27-25-23-21-19-16-14-12-10-8-6-4-2/h9,11,15,17,33,36H,3-8,10,12-14,16,18-32H2,1-2H3/b11-9-,17-15-/t33-/m0/s1 |
 |
SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7]/[CH:9]=[CH:11]\[CH2:13]/[CH:15]=[CH:17]\[CH2:18][CH2:20][CH2:22][CH2:24][CH2:26][CH2:28][CH2:30][C:35](=[O:38])[O:40][C@@H:33]([CH2:31][OH:36])[CH2:32][O:39][C:34]([CH2:29][CH2:27][CH2:25][CH2:23][CH2:21][CH2:19][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:37] |
|