a jasmonoyl-1-aminocyclopropane-1 carboxylate

Properties Image MNX_ID MNXM18784 reference metacycM:Jasmonoyl-ACCs formula C16H22NO4 global charge -1 mol weight 292.355 InChIKey TVRBFBSVUYCAKT-ARJAWSKDSA-M InChI InChI=1S/C16H23NO4/c1-2-3-4-5-12-11(6-7-13(12)18)10-14(19)17-16(8-9-16)15(20)21/h3-4,11-12H,2,5-10H2,1H3,(H,17,19)(H,20,21)/p-1/b4-3- SMILES CC/C=C\CC1C(=O)CCC1CC(=O)NC1(C(=O)[O-])CC1 MNX internals InChI (mnx) InChI=1/C16H23NO4/c1-2-3-4-5-12-11(6-7-13(12)18)10-14(19)17-16(8-9-16)15(20)21/h3-4,11-12H,2,5-10H2,1H3,(H,17,19)(H,20,21)/b4-3-/t11?,12? SMILES (mnx) [CH3:1][CH2:2]/[CH:3]=[CH:4]\[CH2:5][CH:12]1[CH:11]([CH2:10][C:14](=[N:17][C:16]2([C:15](=[O:20])[OH:21])[CH2:8][CH2:9]2)[OH:19])[CH2:6][CH2:7][C:13]1=[O:18]

Parent-child relations graph

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