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1-(10Z,13Z,16Z,19Z,22Z,25Z-octacosahexaenoyl)-2-(8Z,11Z,14Z,17Z-eicosatetraenoyl)-sn-glycero-3-phosphocholine

PropertiesImage
MNX_IDMNXM180279 Image of MNXM180279
referenceslm:000007808
formulaC56H92NO8P
global charge0
mol weight938.325
InChIKeyALXZJTVPPCBMJM-YFXJAUQUSA-N
InChIInChI=1S/C56H92NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-28-29-30-31-33-34-36-38-40-42-44-46-48-55(58)62-52-54(53-64-66(60,61)63-51-50-57(3,4)5)65-56(59)49-47-45-43-41-39-37-35-32-23-21-19-17-15-13-11-9-7-2/h8-11,14-17,20-23,25-26,28-29,31,33,35,37,54H,6-7,12-13,18-19,24,27,30,32,34,36,38-53H2,1-5H3/b10-8-,11-9-,16-14-,17-15-,22-20-,23-21-,26-25-,29-28-,33-31-,37-35-/t54-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC
MNX internals
InChI (mnx)InChI=1/C56H92NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-28-29-30-31-33-34-36-38-40-42-44-46-48-55(58)62-52-54(53-64-66(60,61)63-51-50-57(3,4)5)65-56(59)49-47-45-43-41-39-37-35-32-23-21-19-17-15-13-11-9-7-2/h8-11,14-17,20-23,25-26,28-29,31,33,35,37,54H,6-7,12-13,18-19,24,27,30,32,34,36,38-53H2,1-5H3/b10-8-,11-9-,16-14-,17-15-,22-20-,23-21-,26-25-,29-28-,33-31-,37-35-/t54-/m1/s1 Image of MNXM180279
SMILES (mnx)[CH3:1][CH2:6]/[CH:8]=[CH:10]\[CH2:12]/[CH:14]=[CH:16]\[CH2:18]/[CH:20]=[CH:22]\[CH2:24]/[CH:25]=[CH:26]\[CH2:27]/[CH:28]=[CH:29]\[CH2:30]/[CH:31]=[CH:33]\[CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][C:55](=[O:58])[O:62][CH2:52][C@H:54]([CH2:53][O:64][P:66](=[O:60])([O-:61])[O:63][CH2:51][CH2:50][N+:57]([CH3:3])([CH3:4])[CH3:5])[O:65][C:56]([CH2:49][CH2:47][CH2:45][CH2:43][CH2:41][CH2:39]/[CH:37]=[CH:35]\[CH2:32]/[CH:23]=[CH:21]\[CH2:19]/[CH:17]=[CH:15]\[CH2:13]/[CH:11]=[CH:9]\[CH2:7][CH3:2])=[O:59]
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:000007808
slm:000007808
ALXZJTVPPCBMJM-YFXJAUQUSA-N
1-(10Z,13Z,16Z,19Z,22Z,25Z-octacosahexaenoyl)-2-(8Z,11Z,14Z,17Z-eicosatetraenoyl)-sn-glycero-3-phosphocholine
PC(28:6(10Z,13Z,16Z,19Z,22Z,25Z)/20:4(8Z,11Z,14Z,17Z))
Phosphatidylcholine (28:6(10Z,13Z,16Z,19Z,22Z,25Z)/20:4(8Z,11Z,14Z,17Z))