1-heptadecanoyl-2-acetyl-sn-glycero-3-phosphocholine

Properties Image MNX_ID MNXM69451 reference slm:000013107 formula C27H54NO8P global charge 0 mol weight 551.702 InChIKey LWDJUBRBHIVQQB-AREMUKBSSA-N InChI InChI=1S/C27H54NO8P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27(30)33-23-26(36-25(2)29)24-35-37(31,32)34-22-21-28(3,4)5/h26H,6-24H2,1-5H3/t26-/m1/s1 SMILES CCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(C)=O MNX internals InChI (mnx) InChI=1/C27H54NO8P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27(30)33-23-26(36-25(2)29)24-35-37(31,32)34-22-21-28(3,4)5/h26H,6-24H2,1-5H3/t26-/m1/s1 SMILES (mnx) [CH3:1][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][C:27](=[O:30])[O:33][CH2:23][C@H:26]([CH2:24][O:35][P:37](=[O:31])([O-:32])[O:34][CH2:22][CH2:21][N+:28]([CH3:3])([CH3:4])[CH3:5])[O:36][C:25]([CH3:2])=[O:29]

Parent-child relations graph

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