a 1-acyl-sn-glycero-3-phosphoethanolamine (n-C16:1)

Properties Image MNX_ID MNXM6601 reference metacycM:CPD0-2151 formula C21H42NO7P global charge 0 mol weight 451.541 InChIKey JURXBKAAUDRHQL-HXUWFJFHSA-N InChI InChI=1S/C21H42NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(24)27-18-20(23)19-29-30(25,26)28-17-16-22/h9-10,20,23H,2-8,11-19,22H2,1H3,(H,25,26)/t20-/m1/s1 SMILES CCCCCCCCC=CCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[NH3+] MNX internals InChI (mnx) InChI=1/C21H42NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(24)27-18-20(23)19-29-30(25,26)28-17-16-22/h9-10,20,23H,2-8,11-19,22H2,1H3,(H,25,26)/b10-9?/t20-/m1/s1 SMILES (mnx) [CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH:9]=[CH:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][C:21](=[O:24])[O:27][CH2:18][C@H:20]([CH2:19][O:29][P:30]([OH:25])(=[O:26])[O:28][CH2:17][CH2:16][NH2:22])[OH:23]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 88 in models (compartimentalized) 2