a jasmonoyl-glutamine

Properties Image MNX_ID MNXM18785 reference metacycM:Jasmonoyl-Glutamines formula C17H25N2O5 global charge -1 mol weight 337.396 InChIKey NQOXCBDTLUTPNO-OTFPUDJKSA-M InChI InChI=1S/C17H26N2O5/c1-2-3-4-5-12-11(6-8-14(12)20)10-16(22)19-13(17(23)24)7-9-15(18)21/h3-4,11-13H,2,5-10H2,1H3,(H2,18,21)(H,19,22)(H,23,24)/p-1/b4-3-/t11?,12?,13-/m0/s1 SMILES CC/C=C\CC1C(=O)CCC1CC(=O)N[C@@H](CCC(N)=O)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C17H26N2O5/c1-2-3-4-5-12-11(6-8-14(12)20)10-16(22)19-13(17(23)24)7-9-15(18)21/h3-4,11-13H,2,5-10H2,1H3,(H2,18,21)(H,19,22)(H,23,24)/b4-3-/t11?,12?,13-/m0/s1 SMILES (mnx) [CH3:1][CH2:2]/[CH:3]=[CH:4]\[CH2:5][CH:12]1[CH:11]([CH2:10][C:16](=[N:19][C@@H:13]([CH2:7][CH2:9][C:15](=[NH:18])[OH:21])[C:17](=[O:23])[OH:24])[OH:22])[CH2:6][CH2:8][C:14]1=[O:20]

Parent-child relations graph

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