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1-(13Z,16Z,19Z,22Z,25Z-octacosapentaenoyl)-2-(20Z,23Z,26Z,29Z,32Z-octatriacontapentaenoyl)-sn-glycero-3-phosphocholine

PropertiesImage
MNX_IDMNXM216223 Image of MNXM216223
referenceslm:000490871
formulaC74H128NO8P
global charge0
mol weight1190.811
InChIKeyCPIBRRQJOTTWHN-UWSZNVAFSA-N
InChIInChI=1S/C74H128NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-33-34-35-36-37-38-39-40-41-43-45-47-49-51-53-55-57-59-61-63-65-67-74(77)83-72(71-82-84(78,79)81-69-68-75(3,4)5)70-80-73(76)66-64-62-60-58-56-54-52-50-48-46-44-42-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h9,11,14-17,20-23,26-29,32-33,35-36,42,44,72H,6-8,10,12-13,18-19,24-25,30-31,34,37-41,43,45-71H2,1-5H3/b11-9-,16-14-,17-15-,22-20-,23-21-,28-26-,29-27-,33-32-,36-35-,44-42-/t72-/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)CCCCCCCCCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC
MNX internals
InChI (mnx)InChI=1/C74H128NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-33-34-35-36-37-38-39-40-41-43-45-47-49-51-53-55-57-59-61-63-65-67-74(77)83-72(71-82-84(78,79)81-69-68-75(3,4)5)70-80-73(76)66-64-62-60-58-56-54-52-50-48-46-44-42-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h9,11,14-17,20-23,26-29,32-33,35-36,42,44,72H,6-8,10,12-13,18-19,24-25,30-31,34,37-41,43,45-71H2,1-5H3/b11-9-,16-14-,17-15-,22-20-,23-21-,28-26-,29-27-,33-32-,36-35-,44-42-/t72-/m1/s1 Image of MNXM216223
SMILES (mnx)[CH3:1][CH2:6][CH2:8][CH2:10][CH2:12]/[CH:14]=[CH:16]\[CH2:18]/[CH:20]=[CH:22]\[CH2:24]/[CH:26]=[CH:28]\[CH2:30]/[CH:32]=[CH:33]\[CH2:34]/[CH:35]=[CH:36]\[CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:43][CH2:45][CH2:47][CH2:49][CH2:51][CH2:53][CH2:55][CH2:57][CH2:59][CH2:61][CH2:63][CH2:65][CH2:67][C:74](=[O:77])[O:83][C@H:72]([CH2:70][O:80][C:73]([CH2:66][CH2:64][CH2:62][CH2:60][CH2:58][CH2:56][CH2:54][CH2:52][CH2:50][CH2:48][CH2:46]/[CH:44]=[CH:42]\[CH2:31]/[CH:29]=[CH:27]\[CH2:25]/[CH:23]=[CH:21]\[CH2:19]/[CH:17]=[CH:15]\[CH2:13]/[CH:11]=[CH:9]\[CH2:7][CH3:2])=[O:76])[CH2:71][O:82][P:84](=[O:78])([O-:79])[O:81][CH2:69][CH2:68][N+:75]([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:000490871
slm:000490871
CPIBRRQJOTTWHN-UWSZNVAFSA-N
1-(13Z,16Z,19Z,22Z,25Z-octacosapentaenoyl)-2-(20Z,23Z,26Z,29Z,32Z-octatriacontapentaenoyl)-sn-glycero-3-phosphocholine
PC(28:5(13Z,16Z,19Z,22Z,25Z)/38:5(20Z,23Z,26Z,29Z,32Z))
Phosphatidylcholine (28:5(13Z,16Z,19Z,22Z,25Z)/38:5(20Z,23Z,26Z,29Z,32Z))