| Properties | Image |
MNX_ID | MNXM104449 |
 |
reference | lipidmapsM:LMGL02010524 |
formula | C39H74O5 |
global charge | 0 |
mol weight | 623.016 |
InChIKey | BYIQYYQWCRHPDX-XSBKVQPJSA-N |
InChI | InChI=1S/C39H74O5/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/h19-20,37,40H,3-18,21-36H2,1-2H3/b20-19-/t37-/m0/s1 |
SMILES | CCCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCCCCC |
MNX internals
InChI (mnx) | InChI=1/C39H74O5/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/h19-20,37,40H,3-18,21-36H2,1-2H3/b20-19-/t37-/m0/s1 |
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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][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:42] |
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