12-HETE-Gly

Properties Image MNX_ID MNXM33259 reference chebi:186903 formula C22H35NO4 global charge 0 mol weight 377.525 InChIKey IEDOAPXQRUEANC-DJNHXDDZSA-N InChI InChI=1S/C22H35NO4/c1-2-3-4-5-10-13-16-20(24)17-14-11-8-6-7-9-12-15-18-21(25)23-19-22(26)27/h7-11,13-14,17,20,24H,2-6,12,15-16,18-19H2,1H3,(H,23,25)(H,26,27)/b9-7-,11-8-,13-10-,17-14+/t20-/m0/s1 SMILES CCCCC/C=C\C[C@H](O)/C=C/C=C\C/C=C\CCCC(=O)NCC(=O)O MNX internals InChI (mnx) InChI=1/C22H35NO4/c1-2-3-4-5-10-13-16-20(24)17-14-11-8-6-7-9-12-15-18-21(25)23-19-22(26)27/h7-11,13-14,17,20,24H,2-6,12,15-16,18-19H2,1H3,(H,23,25)(H,26,27)/b9-7-,11-8-,13-10-,17-14+/t20-/m0/s1 SMILES (mnx) [CH3:1][CH2:2][CH2:3][CH2:4][CH2:5]/[CH:10]=[CH:13]\[CH2:16][C@@H:20](/[CH:17]=[CH:14]/[CH:11]=[CH:8]\[CH2:6]/[CH:7]=[CH:9]\[CH2:12][CH2:15][CH2:18][C:21](=[N:23][CH2:19][C:22](=[O:26])[OH:27])[OH:25])[OH:24]

Parent-child relations graph

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