14,15-DiHETrE-EA

Properties Image MNX_ID MNXM33361 reference chebi:165579 formula C22H39NO4 global charge 0 mol weight 381.557 InChIKey ZHCWBIFELSAWPF-ILYOTBPNSA-N InChI InChI=1S/C22H39NO4/c1-2-3-12-15-20(25)21(26)16-13-10-8-6-4-5-7-9-11-14-17-22(27)23-18-19-24/h4,6-7,9-10,13,20-21,24-26H,2-3,5,8,11-12,14-19H2,1H3,(H,23,27)/b6-4-,9-7-,13-10- SMILES CCCCCC(O)C(O)C/C=C\C/C=C\C/C=C\CCCC(=O)NCCO MNX internals InChI (mnx) InChI=1/C22H39NO4/c1-2-3-12-15-20(25)21(26)16-13-10-8-6-4-5-7-9-11-14-17-22(27)23-18-19-24/h4,6-7,9-10,13,20-21,24-26H,2-3,5,8,11-12,14-19H2,1H3,(H,23,27)/b6-4-,9-7-,13-10-/t20?,21? SMILES (mnx) [CH3:1][CH2:2][CH2:3][CH2:12][CH2:15][CH:20]([CH:21]([CH2:16]/[CH:13]=[CH:10]\[CH2:8]/[CH:6]=[CH:4]\[CH2:5]/[CH:7]=[CH:9]\[CH2:11][CH2:14][CH2:17][C:22](=[N:23][CH2:18][CH2:19][OH:24])[OH:27])[OH:26])[OH:25]

Parent-child relations graph

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