1-tridecanoyl-2-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero-3-phosphoethanolamine

Properties Image MNX_ID MNXM71223 reference slm:000036550 formula C36H66NO8P global charge 0 mol weight 671.897 InChIKey AZFIEFPGSMQDJN-VMYMYOFASA-N InChI InChI=1S/C36H66NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-21-23-25-27-29-36(39)45-34(33-44-46(40,41)43-31-30-37)32-42-35(38)28-26-24-22-20-14-12-10-8-6-4-2/h5,7,11,13,16-17,34H,3-4,6,8-10,12,14-15,18-33,37H2,1-2H3,(H,40,41)/b7-5-,13-11-,17-16-/t34-/m1/s1 SMILES CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCC)COP(=O)([O-])OCC[NH3+] MNX internals InChI (mnx) InChI=1/C36H66NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-21-23-25-27-29-36(39)45-34(33-44-46(40,41)43-31-30-37)32-42-35(38)28-26-24-22-20-14-12-10-8-6-4-2/h5,7,11,13,16-17,34H,3-4,6,8-10,12,14-15,18-33,37H2,1-2H3,(H,40,41)/b7-5-,13-11-,17-16-/t34-/m1/s1 SMILES (mnx) [CH3:1][CH2:3]/[CH:5]=[CH:7]\[CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:16]=[CH:17]\[CH2:18][CH2:19][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][C:36](=[O:39])[O:45][C@H:34]([CH2:32][O:42][C:35]([CH2:28][CH2:26][CH2:24][CH2:22][CH2:20][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:38])[CH2:33][O:44][P:46]([OH:40])(=[O:41])[O:43][CH2:31][CH2:30][NH2:37]

Parent-child relations graph

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