N-Jasmonoyltyrosine

Properties Image MNX_ID MNXM128483 reference hmdb:HMDB0039503 formula C21H27NO5 global charge 0 mol weight 373.449 InChIKey SLWSWKGGZQCLDU-ONEGZZNKSA-N InChI InChI=1S/C21H27NO5/c1-2-3-4-5-17-15(8-11-19(17)24)13-20(25)22-18(21(26)27)12-14-6-9-16(23)10-7-14/h3-4,6-7,9-10,15,17-18,23H,2,5,8,11-13H2,1H3,(H,22,25)(H,26,27)/b4-3+ SMILES CC/C=C/CC1C(=O)CCC1CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)O MNX internals InChI (mnx) InChI=1/C21H27NO5/c1-2-3-4-5-17-15(8-11-19(17)24)13-20(25)22-18(21(26)27)12-14-6-9-16(23)10-7-14/h3-4,6-7,9-10,15,17-18,23H,2,5,8,11-13H2,1H3,(H,22,25)(H,26,27)/b4-3+/t15?,17?,18? SMILES (mnx) [CH3:1][CH2:2]/[CH:3]=[CH:4]/[CH2:5][CH:17]1[CH:15]([CH2:13][C:20](=[N:22][CH:18]([CH2:12][C:14]2=[CH:7][CH:10]=[C:16]([OH:23])[CH:9]=[CH:6]2)[C:21](=[O:26])[OH:27])[OH:25])[CH2:8][CH2:11][C:19]1=[O:24]

Parent-child relations graph

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