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

PropertiesImage
MNX_IDMNXM217966 Image of MNXM217966
referenceslm:000031434
formulaC52H96NO8P
global charge0
mol weight894.313
InChIKeyXRYPHBDRPJHHDL-ITYCVEODSA-N
InChIInChI=1S/C52H96NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-31-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53)61-52(55)45-43-41-39-37-35-33-30-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,22-23,25-26,50H,3-10,12,14-16,18,20-21,24,27-49,53H2,1-2H3,(H,56,57)/b13-11-,19-17-,23-22-,26-25-/t50-/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)CCCCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C52H96NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-31-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53)61-52(55)45-43-41-39-37-35-33-30-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,22-23,25-26,50H,3-10,12,14-16,18,20-21,24,27-49,53H2,1-2H3,(H,56,57)/b13-11-,19-17-,23-22-,26-25-/t50-/m1/s1 Image of MNXM217966
SMILES (mnx)[CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:19]\[CH2:21]/[CH:22]=[CH:23]\[CH2:24]/[CH:25]=[CH:26]\[CH2:27][CH2:28][CH2:29][CH2:31][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][C:51](=[O:54])[O:58][CH2:48][C@H:50]([CH2:49][O:60][P:62]([OH:56])(=[O:57])[O:59][CH2:47][CH2:46][NH2:53])[O:61][C:52]([CH2:45][CH2:43][CH2:41][CH2:39][CH2:37][CH2:35][CH2:33][CH2:30][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:55]
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:000031434
slm:000031434
XRYPHBDRPJHHDL-ITYCVEODSA-N
1-(13Z,16Z,19Z,22Z-octacosatetraenoyl)-2-nonadecanoyl-sn-glycero-3-phosphoethanolamine
PE(28:4(13Z,16Z,19Z,22Z)/19:0)
Phosphatidylethanolamine (28:4(13Z,16Z,19Z,22Z)/19:0)