| Properties | Image |
MNX_ID | MNXM27719 |
 |
reference | lipidmapsM:LMST04010009 |
formula | C24H40O3 |
global charge | 0 |
mol weight | 376.581 |
InChIKey | AOZMFMMOEOBOTA-JHFIDHCDSA-N |
InChI | InChI=1S/C24H40O3/c1-15(7-10-22(26)27)17-8-9-18-16-14-21(25)20-6-4-5-12-23(20,2)19(16)11-13-24(17,18)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16+,17-,18+,19+,20-,21+,23-,24-/m1/s1 |
SMILES | C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C |
MNX internals
InChI (mnx) | InChI=1/C24H40O3/c1-15(7-10-22(26)27)17-8-9-18-16-14-21(25)20-6-4-5-12-23(20,2)19(16)11-13-24(17,18)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16+,17-,18+,19+,20-,21+,23-,24-/m1/s1 |
 |
SMILES (mnx) | [CH3:1][C@H:15]([CH2:7][CH2:10][C:22](=[O:26])[OH:27])[C@H:17]1[CH2:8][CH2:9][C@H:18]2[C@@H:16]3[CH2:14][C@H:21]([OH:25])[C@H:20]4[CH2:6][CH2:4][CH2:5][CH2:12][C@:23]4([CH3:2])[C@H:19]3[CH2:11][CH2:13][C@:24]12[CH3:3] |
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