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1-(11Z,14Z,17Z,20Z,23Z-hexacosapentaenoyl)-2-(13Z,16Z-docosadienoyl)-sn-glycero-3-phosphocholine

PropertiesImage
MNX_IDMNXM193398 Image of MNXM193398
referenceslm:000008171
formulaC56H98NO8P
global charge0
mol weight944.373
InChIKeyHWKPHCNHHICLJH-OBOZDRQDSA-N
InChIInChI=1S/C56H98NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-27-28-29-31-32-34-36-38-40-42-44-46-48-55(58)62-52-54(53-64-66(60,61)63-51-50-57(3,4)5)65-56(59)49-47-45-43-41-39-37-35-33-30-25-23-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-23,26-27,29,31,54H,6-7,9,11-13,18-19,24-25,28,30,32-53H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,23-21-,27-26-,31-29-/t54-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC
MNX internals
InChI (mnx)InChI=1/C56H98NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-27-28-29-31-32-34-36-38-40-42-44-46-48-55(58)62-52-54(53-64-66(60,61)63-51-50-57(3,4)5)65-56(59)49-47-45-43-41-39-37-35-33-30-25-23-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-23,26-27,29,31,54H,6-7,9,11-13,18-19,24-25,28,30,32-53H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,23-21-,27-26-,31-29-/t54-/m1/s1 Image of MNXM193398
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:26]=[CH:27]\[CH2:28]/[CH:29]=[CH:31]\[CH2:32][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][CH2:37][CH2:35][CH2:33][CH2:30][CH2:25]/[CH:23]=[CH:21]\[CH2:19]/[CH:17]=[CH:15]\[CH2:13][CH2:11][CH2:9][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:000008171
slm:000008171
HWKPHCNHHICLJH-OBOZDRQDSA-N
1-(11Z,14Z,17Z,20Z,23Z-hexacosapentaenoyl)-2-(13Z,16Z-docosadienoyl)-sn-glycero-3-phosphocholine
PC(26:5(11Z,14Z,17Z,20Z,23Z)/22:2(13Z,16Z))
Phosphatidylcholine (26:5(11Z,14Z,17Z,20Z,23Z)/22:2(13Z,16Z))