12-HETE-Ala

Properties Image MNX_ID MNXM33256 reference lipidmapsM:LMFA08020146 formula C23H37NO4 global charge 0 mol weight 391.552 InChIKey ONYVHICJBRWHPQ-RTYQQCFVSA-N InChI InChI=1S/C23H37NO4/c1-3-4-5-6-11-14-17-21(25)18-15-12-9-7-8-10-13-16-19-22(26)24-20(2)23(27)28/h8-12,14-15,18,20-21,25H,3-7,13,16-17,19H2,1-2H3,(H,24,26)(H,27,28)/b10-8-,12-9-,14-11-,18-15+/t20-,21-/m0/s1 SMILES CCCCC/C=C\C[C@H](O)/C=C/C=C\C/C=C\CCCC(=O)N[C@@H](C)C(=O)O MNX internals InChI (mnx) InChI=1/C23H37NO4/c1-3-4-5-6-11-14-17-21(25)18-15-12-9-7-8-10-13-16-19-22(26)24-20(2)23(27)28/h8-12,14-15,18,20-21,25H,3-7,13,16-17,19H2,1-2H3,(H,24,26)(H,27,28)/b10-8-,12-9-,14-11-,18-15+/t20-,21-/m0/s1 SMILES (mnx) [CH3:1][CH2:3][CH2:4][CH2:5][CH2:6]/[CH:11]=[CH:14]\[CH2:17][C@@H:21](/[CH:18]=[CH:15]/[CH:12]=[CH:9]\[CH2:7]/[CH:8]=[CH:10]\[CH2:13][CH2:16][CH2:19][C:22](=[N:24][C@@H:20]([CH3:2])[C:23](=[O:27])[OH:28])[OH:26])[OH:25]

Parent-child relations graph

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