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1-(13Z,16Z,19Z,22Z-octacosatetraenoyl)-2-(15-methylhexadecanoyl)-sn-glycero-3-phosphoethanolamine

PropertiesImage
MNX_IDMNXM217210 Image of MNXM217210
referenceslm:000031383
formulaC50H92NO8P
global charge0
mol weight866.259
InChIKeyDAZTXZLIVKFMDU-MVBYXSJSSA-N
InChIInChI=1S/C50H92NO8P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-29-32-35-38-41-49(52)56-45-48(46-58-60(54,55)57-44-43-51)59-50(53)42-39-36-33-30-27-24-25-28-31-34-37-40-47(2)3/h8-9,11-12,14-15,17-18,47-48H,4-7,10,13,16,19-46,51H2,1-3H3,(H,54,55)/b9-8-,12-11-,15-14-,18-17-/t48-/m1/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[NH3+])OC(=O)CCCCCCCCCCCCCC(C)C
MNX internals
InChI (mnx)InChI=1/C50H92NO8P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-29-32-35-38-41-49(52)56-45-48(46-58-60(54,55)57-44-43-51)59-50(53)42-39-36-33-30-27-24-25-28-31-34-37-40-47(2)3/h8-9,11-12,14-15,17-18,47-48H,4-7,10,13,16,19-46,51H2,1-3H3,(H,54,55)/b9-8-,12-11-,15-14-,18-17-/t48-/m1/s1 Image of MNXM217210
SMILES (mnx)[CH3:1][CH2:4][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][CH2:20][CH2:21][CH2:22][CH2:23][CH2:26][CH2:29][CH2:32][CH2:35][CH2:38][CH2:41][C:49](=[O:52])[O:56][CH2:45][C@H:48]([CH2:46][O:58][P:60]([OH:54])(=[O:55])[O:57][CH2:44][CH2:43][NH2:51])[O:59][C:50]([CH2:42][CH2:39][CH2:36][CH2:33][CH2:30][CH2:27][CH2:24][CH2:25][CH2:28][CH2:31][CH2:34][CH2:37][CH2:40][CH:47]([CH3:2])[CH3:3])=[O:53]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

SLM:000031383
slm:000031383
DAZTXZLIVKFMDU-MVBYXSJSSA-N
1-(13Z,16Z,19Z,22Z-octacosatetraenoyl)-2-(15-methylhexadecanoyl)-sn-glycero-3-phosphoethanolamine
PE(28:4(13Z,16Z,19Z,22Z)/17:0)
Phosphatidylethanolamine (28:4(13Z,16Z,19Z,22Z)/17:0)