1-(15-methylhexadecanoyl)-2-(11Z,14Z,17Z,20Z,23Z-hexacosapentaenoyl)-sn-glycero-3-phosphoethanolamine

Properties Image MNX_ID MNXM227603 reference slm:000031686 formula C48H86NO8P global charge 0 mol weight 836.189 InChIKey QLWQJTOJRNLEGU-MKDGHQMWSA-N InChI InChI=1S/C48H86NO8P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-28-31-34-37-40-48(51)57-46(44-56-58(52,53)55-42-41-49)43-54-47(50)39-36-33-30-27-25-22-23-26-29-32-35-38-45(2)3/h5-6,8-9,11-12,14-15,17-18,45-46H,4,7,10,13,16,19-44,49H2,1-3H3,(H,52,53)/b6-5-,9-8-,12-11-,15-14-,18-17-/t46-/m1/s1 SMILES CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC(C)C)COP(=O)([O-])OCC[NH3+] MNX internals InChI (mnx) InChI=1/C48H86NO8P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-28-31-34-37-40-48(51)57-46(44-56-58(52,53)55-42-41-49)43-54-47(50)39-36-33-30-27-25-22-23-26-29-32-35-38-45(2)3/h5-6,8-9,11-12,14-15,17-18,45-46H,4,7,10,13,16,19-44,49H2,1-3H3,(H,52,53)/b6-5-,9-8-,12-11-,15-14-,18-17-/t46-/m1/s1 SMILES (mnx) [CH3:1][CH2:4]/[CH:5]=[CH: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][CH2:20][CH2:21][CH2:24][CH2:28][CH2:31][CH2:34][CH2:37][CH2:40][C:48](=[O:51])[O:57][C@H:46]([CH2:43][O:54][C:47]([CH2:39][CH2:36][CH2:33][CH2:30][CH2:27][CH2:25][CH2:22][CH2:23][CH2:26][CH2:29][CH2:32][CH2:35][CH2:38][CH:45]([CH3:2])[CH3:3])=[O:50])[CH2:44][O:56][P:58]([OH:52])(=[O:53])[O:55][CH2:42][CH2:41][NH2:49]

Parent-child relations graph

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