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1-(13Z,16Z,19Z,22Z,25Z-octacosapentaenoyl)-2-octanoyl-sn-glycero-3-phosphocholine

PropertiesImage
MNX_IDMNXM216839 Image of MNXM216839
referenceslm:000008939
formulaC44H78NO8P
global charge0
mol weight780.081
InChIKeyXGLJXFVWUHFZHO-AWQXUZIBSA-N
InChIInChI=1S/C44H78NO8P/c1-6-8-10-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-33-34-36-43(46)50-40-42(53-44(47)37-35-32-11-9-7-2)41-52-54(48,49)51-39-38-45(3,4)5/h8,10,13-14,16-17,19-20,22-23,42H,6-7,9,11-12,15,18,21,24-41H2,1-5H3/b10-8-,14-13-,17-16-,20-19-,23-22-/t42-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC
MNX internals
InChI (mnx)InChI=1/C44H78NO8P/c1-6-8-10-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-33-34-36-43(46)50-40-42(53-44(47)37-35-32-11-9-7-2)41-52-54(48,49)51-39-38-45(3,4)5/h8,10,13-14,16-17,19-20,22-23,42H,6-7,9,11-12,15,18,21,24-41H2,1-5H3/b10-8-,14-13-,17-16-,20-19-,23-22-/t42-/m1/s1 Image of MNXM216839
SMILES (mnx)[CH3:1][CH2:6]/[CH:8]=[CH:10]\[CH2:12]/[CH:13]=[CH:14]\[CH2:15]/[CH:16]=[CH:17]\[CH2:18]/[CH:19]=[CH:20]\[CH2:21]/[CH:22]=[CH:23]\[CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:33][CH2:34][CH2:36][C:43](=[O:46])[O:50][CH2:40][C@H:42]([CH2:41][O:52][P:54](=[O:48])([O-:49])[O:51][CH2:39][CH2:38][N+:45]([CH3:3])([CH3:4])[CH3:5])[O:53][C:44]([CH2:37][CH2:35][CH2:32][CH2:11][CH2:9][CH2:7][CH3:2])=[O:47]
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:000008939
slm:000008939
XGLJXFVWUHFZHO-AWQXUZIBSA-N
1-(13Z,16Z,19Z,22Z,25Z-octacosapentaenoyl)-2-octanoyl-sn-glycero-3-phosphocholine
PC(28:5(13Z,16Z,19Z,22Z,25Z)/8:0)
Phosphatidylcholine (28:5(13Z,16Z,19Z,22Z,25Z)/8:0)