| Properties | Image |
MNX_ID | MNXM104456 |
 |
reference | lipidmapsM:LMGL02010531 |
formula | C41H78O5 |
global charge | 0 |
mol weight | 651.07 |
InChIKey | WLEOQBBBEMMVMY-FCRXQSECSA-N |
InChI | InChI=1S/C41H78O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h19,21,39,42H,3-18,20,22-38H2,1-2H3/b21-19-/t39-/m0/s1 |
SMILES | CCCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCCCCCCC |
MNX internals
InChI (mnx) | InChI=1/C41H78O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h19,21,39,42H,3-18,20,22-38H2,1-2H3/b21-19-/t39-/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:21]\[CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][C:40](=[O:43])[O:45][CH2:38][C@H:39]([CH2:37][OH:42])[O:46][C:41]([CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:22][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:44] |
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