(3R,5R,7S,8E,10E,12E)-3-amino-5,7-dihydroxyoctadeca-8,10,12-trienoic acid

Properties Image MNX_ID MNXM1128613 reference chebi:167189 formula C18H31NO4 global charge 0 mol weight 325.449 InChIKey RIELEJUDWWNVHS-JGYKGMOYSA-N InChI InChI=1S/C18H31NO4/c1-2-3-4-5-6-7-8-9-10-11-16(20)14-17(21)12-15(19)13-18(22)23/h6-11,15-17,20-21H,2-5,12-14,19H2,1H3,(H,22,23)/b7-6+,9-8+,11-10+/t15-,16-,17-/m1/s1 SMILES CCCCC/C=C/C=C/C=C/[C@@H](O)C[C@H](O)C[C@@H](N)CC(=O)O MNX internals InChI (mnx) InChI=1/C18H31NO4/c1-2-3-4-5-6-7-8-9-10-11-16(20)14-17(21)12-15(19)13-18(22)23/h6-11,15-17,20-21H,2-5,12-14,19H2,1H3,(H,22,23)/b7-6+,9-8+,11-10+/t15-,16-,17-/m1/s1 SMILES (mnx) [CH3:1][CH2:2][CH2:3][CH2:4][CH2:5]/[CH:6]=[CH:7]/[CH:8]=[CH:9]/[CH:10]=[CH:11]/[C@H:16]([CH2:14][C@@H:17]([CH2:12][C@H:15]([CH2:13][C:18](=[O:22])[OH:23])[NH2:19])[OH:21])[OH:20]

Parent-child relations graph

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