N-hexanoyl-1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphoethanolamine

Properties Image MNX_ID MNXM146805 reference chebi:85297 formula C45H83NO9P global charge -1 mol weight 813.131 InChIKey YJVXUQCRPJIOON-UXSLIEDSSA-M InChI InChI=1S/C45H84NO9P/c1-4-7-10-12-14-16-18-20-21-23-25-27-29-31-34-37-45(49)55-42(41-54-56(50,51)53-39-38-46-43(47)35-32-9-6-3)40-52-44(48)36-33-30-28-26-24-22-19-17-15-13-11-8-5-2/h14,16,20-21,42H,4-13,15,17-19,22-41H2,1-3H3,(H,46,47)(H,50,51)/p-1/b16-14-,21-20-/t42-/m1/s1 SMILES CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCCNC(=O)CCCCC MNX internals InChI (mnx) InChI=1/C45H84NO9P/c1-4-7-10-12-14-16-18-20-21-23-25-27-29-31-34-37-45(49)55-42(41-54-56(50,51)53-39-38-46-43(47)35-32-9-6-3)40-52-44(48)36-33-30-28-26-24-22-19-17-15-13-11-8-5-2/h14,16,20-21,42H,4-13,15,17-19,22-41H2,1-3H3,(H,46,47)(H,50,51)/b16-14-,21-20-/t42-/m1/s1 SMILES (mnx) [CH3:1][CH2:4][CH2:7][CH2:10][CH2:12]/[CH:14]=[CH:16]\[CH2:18]/[CH:20]=[CH:21]\[CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:34][CH2:37][C:45](=[O:49])[O:55][C@H:42]([CH2:40][O:52][C:44]([CH2:36][CH2:33][CH2:30][CH2:28][CH2:26][CH2:24][CH2:22][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:8][CH2:5][CH3:2])=[O:48])[CH2:41][O:54][P:56]([OH:50])(=[O:51])[O:53][CH2:39][CH2:38][N:46]=[C:43]([CH2:35][CH2:32][CH2:9][CH2:6][CH3:3])[OH:47]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 1