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1-(10Z,13Z,16Z-docosatrienoyl)-2-(8Z,11Z,14Z,17Z,20Z,23Z-hexacosahexaenoyl)-sn-glycero-3-phosphocholine

PropertiesImage
MNX_IDMNXM183797 Image of MNXM183797
referenceslm:000007964
formulaC56H94NO8P
global charge0
mol weight940.341
InChIKeyOBXCGOUGDMNZPG-NZJXGKOVSA-N
InChIInChI=1S/C56H94NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-27-28-29-31-33-35-37-39-41-43-45-47-49-56(59)65-54(53-64-66(60,61)63-51-50-57(3,4)5)52-62-55(58)48-46-44-42-40-38-36-34-32-30-25-23-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-23,26-27,29-32,35,37,54H,6-7,9,11-13,18-19,24-25,28,33-34,36,38-53H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,23-21-,27-26-,31-29-,32-30-,37-35-/t54-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)O[C@H](COC(=O)CCCCCCCC/C=C\C/C=C\C/C=C\CCCCC)COP(=O)([O-])OCC[N+](C)(C)C
MNX internals
InChI (mnx)InChI=1/C56H94NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-27-28-29-31-33-35-37-39-41-43-45-47-49-56(59)65-54(53-64-66(60,61)63-51-50-57(3,4)5)52-62-55(58)48-46-44-42-40-38-36-34-32-30-25-23-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-23,26-27,29-32,35,37,54H,6-7,9,11-13,18-19,24-25,28,33-34,36,38-53H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,23-21-,27-26-,31-29-,32-30-,37-35-/t54-/m1/s1 Image of MNXM183797
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]\[CH2:33]/[CH:35]=[CH:37]\[CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][CH2:49][C:56](=[O:59])[O:65][C@H:54]([CH2:52][O:62][C:55]([CH2:48][CH2:46][CH2:44][CH2:42][CH2:40][CH2:38][CH2:36][CH2:34]/[CH:32]=[CH:30]\[CH2:25]/[CH:23]=[CH:21]\[CH2:19]/[CH:17]=[CH:15]\[CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])=[O:58])[CH2:53][O:64][P:66](=[O:60])([O-:61])[O:63][CH2:51][CH2:50][N+:57]([CH3:3])([CH3:4])[CH3:5]
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:000007964
slm:000007964
OBXCGOUGDMNZPG-NZJXGKOVSA-N
1-(10Z,13Z,16Z-docosatrienoyl)-2-(8Z,11Z,14Z,17Z,20Z,23Z-hexacosahexaenoyl)-sn-glycero-3-phosphocholine
PC(22:3(10Z,13Z,16Z)/26:6(8Z,11Z,14Z,17Z,20Z,23Z))
Phosphatidylcholine (22:3(10Z,13Z,16Z)/26:6(8Z,11Z,14Z,17Z,20Z,23Z))