5,12,18R-TriHEPE

Properties Image MNX_ID MNXM166517 reference chebi:175486 formula C20H30O5 global charge 0 mol weight 350.455 InChIKey AOPOCGPBAIARAV-OSEJDTMESA-N InChI InChI=1S/C20H30O5/c1-2-17(21)11-8-5-9-14-18(22)12-6-3-4-7-13-19(23)15-10-16-20(24)25/h3-9,11-13,17-19,21-23H,2,10,14-16H2,1H3,(H,24,25)/b4-3-,9-5-,11-8+,12-6+,13-7+/t17-,18-,19+/m1/s1 SMILES CC[C@@H](O)/C=C/C=C\C[C@H](O)/C=C/C=C\C=C\[C@H](O)CCCC(=O)O MNX internals InChI (mnx) InChI=1/C20H30O5/c1-2-17(21)11-8-5-9-14-18(22)12-6-3-4-7-13-19(23)15-10-16-20(24)25/h3-9,11-13,17-19,21-23H,2,10,14-16H2,1H3,(H,24,25)/b4-3-,9-5-,11-8+,12-6+,13-7+/t17-,18-,19+/m1/s1 SMILES (mnx) [CH3:1][CH2:2][C@H:17](/[CH:11]=[CH:8]/[CH:5]=[CH:9]\[CH2:14][C@@H:18](/[CH:12]=[CH:6]/[CH:3]=[CH:4]\[CH:7]=[CH:13]\[C@@H:19]([CH2:15][CH2:10][CH2:16][C:20](=[O:24])[OH:25])[OH:23])[OH:22])[OH:21]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 1