a jasmonoyl-L-valine

Properties Image MNX_ID MNXM18789 reference metacycM:Jasmonoyl-Valines formula C17H26NO4 global charge -1 mol weight 308.398 InChIKey LZPFFKBGBPBJAW-KHXRIMTESA-M InChI InChI=1S/C17H27NO4/c1-4-5-6-7-13-12(8-9-14(13)19)10-15(20)18-16(11(2)3)17(21)22/h5-6,11-13,16H,4,7-10H2,1-3H3,(H,18,20)(H,21,22)/p-1/b6-5-/t12?,13?,16-/m0/s1 SMILES CC/C=C\CC1C(=O)CCC1CC(=O)N[C@H](C(=O)[O-])C(C)C MNX internals InChI (mnx) InChI=1/C17H27NO4/c1-4-5-6-7-13-12(8-9-14(13)19)10-15(20)18-16(11(2)3)17(21)22/h5-6,11-13,16H,4,7-10H2,1-3H3,(H,18,20)(H,21,22)/b6-5-/t12?,13?,16-/m0/s1 SMILES (mnx) [CH3:1][CH2:4]/[CH:5]=[CH:6]\[CH2:7][CH:13]1[CH:12]([CH2:10][C:15](=[N:18][C@@H:16]([CH:11]([CH3:2])[CH3:3])[C:17](=[O:21])[OH:22])[OH:20])[CH2:8][CH2:9][C:14]1=[O:19]

Parent-child relations graph

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