15-HETE-GABA

Properties Image MNX_ID MNXM33438 reference chebi:186614 formula C24H39NO4 global charge 0 mol weight 405.579 InChIKey DNZJMTXSNAUPHB-ORLNMRMGSA-N InChI InChI=1S/C24H39NO4/c1-2-3-13-17-22(26)18-14-11-9-7-5-4-6-8-10-12-15-19-23(27)25-21-16-20-24(28)29/h4-5,8-11,14,18,22,26H,2-3,6-7,12-13,15-17,19-21H2,1H3,(H,25,27)(H,28,29)/b5-4-,10-8-,11-9-,18-14+/t22-/m0/s1 SMILES CCCCC[C@H](O)/C=C/C=C\C/C=C\C/C=C\CCCC(=O)NCCCC(=O)O MNX internals InChI (mnx) InChI=1/C24H39NO4/c1-2-3-13-17-22(26)18-14-11-9-7-5-4-6-8-10-12-15-19-23(27)25-21-16-20-24(28)29/h4-5,8-11,14,18,22,26H,2-3,6-7,12-13,15-17,19-21H2,1H3,(H,25,27)(H,28,29)/b5-4-,10-8-,11-9-,18-14+/t22-/m0/s1 SMILES (mnx) [CH3:1][CH2:2][CH2:3][CH2:13][CH2:17][C@@H:22](/[CH:18]=[CH:14]/[CH:11]=[CH:9]\[CH2:7]/[CH:5]=[CH:4]\[CH2:6]/[CH:8]=[CH:10]\[CH2:12][CH2:15][CH2:19][C:23](=[N:25][CH2:21][CH2:16][CH2:20][C:24](=[O:28])[OH:29])[OH:27])[OH:26]

Parent-child relations graph

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