13'-carboxy-gamma-tocotrienol

Properties Image MNX_ID MNXM33316 reference chebi:139534 formula C28H40O4 global charge 0 mol weight 440.624 InChIKey UJMZKOBSLDXUHY-YQHRJHOASA-N InChI InChI=1S/C28H40O4/c1-19(12-8-14-21(3)27(30)31)10-7-11-20(2)13-9-16-28(6)17-15-24-18-25(29)22(4)23(5)26(24)32-28/h10,13-14,18,29H,7-9,11-12,15-17H2,1-6H3,(H,30,31)/b19-10+,20-13+,21-14+/t28-/m1/s1 SMILES CC1=C(C)C2=C(C=C1O)CC[C@@](C)(CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)C(=O)O)O2 MNX internals InChI (mnx) InChI=1/C28H40O4/c1-19(12-8-14-21(3)27(30)31)10-7-11-20(2)13-9-16-28(6)17-15-24-18-25(29)22(4)23(5)26(24)32-28/h10,13-14,18,29H,7-9,11-12,15-17H2,1-6H3,(H,30,31)/b19-10+,20-13+,21-14+/t28-/m1/s1 SMILES (mnx) [CH3:1]/[C:19](=[CH:10]\[CH2:7][CH2:11]/[C:20]([CH3:2])=[CH:13]/[CH2:9][CH2:16][C@:28]1([CH3:6])[CH2:17][CH2:15][C:24]2=[CH:18][C:25]([OH:29])=[C:22]([CH3:4])[C:23]([CH3:5])=[C:26]2[O:32]1)[CH2:12][CH2:8]/[CH:14]=[C:21](\[CH3:3])[C:27](=[O:30])[OH:31]

Parent-child relations graph

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