| Properties | Image |
MNX_ID | MNXM104450 |
 |
reference | lipidmapsM:LMGL02010525 |
formula | C39H72O5 |
global charge | 0 |
mol weight | 621 |
InChIKey | GLIDIUYWXFITQK-MGAPMYNSSA-N |
InChI | InChI=1S/C39H72O5/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h16,18-20,37,40H,3-15,17,21-36H2,1-2H3/b18-16-,20-19-/t37-/m0/s1 |
SMILES | CCCCCCC/C=C\CCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\CCCCCCCCC |
MNX internals
InChI (mnx) | InChI=1/C39H72O5/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h16,18-20,37,40H,3-15,17,21-36H2,1-2H3/b18-16-,20-19-/t37-/m0/s1 |
 |
SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17]/[CH:19]=[CH:20]\[CH2:22][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][C:38](=[O:41])[O:43][CH2:36][C@H:37]([CH2:35][OH:40])[O:44][C:39]([CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:21]/[CH:18]=[CH:16]\[CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:42] |
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