5-deoxy-J2-IsoP

Properties Image MNX_ID MNXM38091 reference lipidmapsM:LMFA03110075 formula C20H28O3 global charge 0 mol weight 316.441 InChIKey YSKQXUAGHQCEPJ-PRBCLIIHSA-N InChI InChI=1S/C20H28O3/c1-2-3-4-5-6-10-13-18-17(15-16-19(18)21)12-9-7-8-11-14-20(22)23/h6-7,9-10,12,15-16,18H,2-5,8,11,13-14H2,1H3,(H,22,23)/b9-7+,10-6-,17-12-/t18-/m0/s1 SMILES CCCCC/C=C\C[C@@H]1C(=O)C=C/C1=C/C=C/CCCC(=O)O MNX internals InChI (mnx) InChI=1/C20H28O3/c1-2-3-4-5-6-10-13-18-17(15-16-19(18)21)12-9-7-8-11-14-20(22)23/h6-7,9-10,12,15-16,18H,2-5,8,11,13-14H2,1H3,(H,22,23)/b9-7+,10-6-,17-12-/t18-/m0/s1 SMILES (mnx) [CH3:1][CH2:2][CH2:3][CH2:4][CH2:5]/[CH:6]=[CH:10]\[CH2:13][C@H:18]1/[C:17](=[CH:12]\[CH:9]=[CH:7]\[CH2:8][CH2:11][CH2:14][C:20](=[O:22])[OH:23])[CH:15]=[CH:16][C:19]1=[O:21]

Parent-child relations graph

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