3(S),10(R)-OH-octadeca-6-trans-4,12-cis-trienoate

Properties Image MNX_ID MNXM730081 reference biggM:CE5968 formula C18H29O4 global charge -1 mol weight 309.426 InChIKey YACBGVCITKQKQT-SAMFASGYSA-M InChI InChI=1S/C18H30O4/c1-2-3-4-5-6-9-12-16(19)13-10-7-8-11-14-17(20)15-18(21)22/h6-9,11,14,16-17,19-20H,2-5,10,12-13,15H2,1H3,(H,21,22)/p-1/b8-7+,9-6-,14-11-/t16?,17-/m1/s1 SMILES CCCCC/C=C\CC(O)CC/C=C/C=C\[C@@H](O)CC(=O)[O-] MNX internals InChI (mnx) InChI=1/C18H30O4/c1-2-3-4-5-6-9-12-16(19)13-10-7-8-11-14-17(20)15-18(21)22/h6-9,11,14,16-17,19-20H,2-5,10,12-13,15H2,1H3,(H,21,22)/b8-7+,9-6-,14-11-/t16?,17-/m1/s1 SMILES (mnx) [CH3:1][CH2:2][CH2:3][CH2:4][CH2:5]/[CH:6]=[CH:9]\[CH2:12][CH:16]([CH2:13][CH2:10]/[CH:7]=[CH:8]/[CH:11]=[CH:14]\[C@H:17]([CH2:15][C:18](=[O:21])[OH:22])[OH:20])[OH:19]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 3