1-butanoyl-2-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-sn-glycero-3-phosphoethanolamine

Properties Image MNX_ID MNXM343910 reference slm:000035035 formula C31H52NO8P global charge 0 mol weight 597.73 InChIKey WDPDHTLTJQGTSG-DFPTXSPHSA-N InChI InChI=1S/C31H52NO8P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-31(34)40-29(27-37-30(33)23-4-2)28-39-41(35,36)38-26-25-32/h8-9,11-12,14-15,17-18,20-21,29H,3-7,10,13,16,19,22-28,32H2,1-2H3,(H,35,36)/b9-8-,12-11-,15-14-,18-17-,21-20-/t29-/m1/s1 SMILES CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCC)COP(=O)([O-])OCC[NH3+] MNX internals InChI (mnx) InChI=1/C31H52NO8P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-31(34)40-29(27-37-30(33)23-4-2)28-39-41(35,36)38-26-25-32/h8-9,11-12,14-15,17-18,20-21,29H,3-7,10,13,16,19,22-28,32H2,1-2H3,(H,35,36)/b9-8-,12-11-,15-14-,18-17-,21-20-/t29-/m1/s1 SMILES (mnx) [CH3:1][CH2:3][CH2:5][CH2:6][CH2:7]/[CH:8]=[CH:9]\[CH2:10]/[CH:11]=[CH:12]\[CH2:13]/[CH:14]=[CH:15]\[CH2:16]/[CH:17]=[CH:18]\[CH2:19]/[CH:20]=[CH:21]\[CH2:22][CH2:24][C:31](=[O:34])[O:40][C@H:29]([CH2:27][O:37][C:30]([CH2:23][CH2:4][CH3:2])=[O:33])[CH2:28][O:39][P:41]([OH:35])(=[O:36])[O:38][CH2:26][CH2:25][NH2:32]

Parent-child relations graph

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