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1-(14Z,17Z,20Z,23Z,26Z,29Z-dotriacontahexaenoyl)-2-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-sn-glycero-3-phosphocholine

PropertiesImage
MNX_IDMNXM225535 Image of MNXM225535
referenceslm:000009217
formulaC62H102NO8P
global charge0
mol weight1020.471
InChIKeyBOPFAWNIIXFNAU-VXNSDKNPSA-N
InChIInChI=1S/C62H102NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-27-28-29-30-31-32-33-34-35-37-38-40-42-44-46-48-50-52-54-61(64)68-58-60(59-70-72(66,67)69-57-56-63(3,4)5)71-62(65)55-53-51-49-47-45-43-41-39-36-25-23-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-23,26-27,29-30,32-33,36,39,43,45,49,51,60H,6-7,9,11-13,18-19,24-25,28,31,34-35,37-38,40-42,44,46-48,50,52-59H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,23-21-,27-26-,30-29-,33-32-,39-36-,45-43-,51-49-/t60-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC
MNX internals
InChI (mnx)InChI=1/C62H102NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-27-28-29-30-31-32-33-34-35-37-38-40-42-44-46-48-50-52-54-61(64)68-58-60(59-70-72(66,67)69-57-56-63(3,4)5)71-62(65)55-53-51-49-47-45-43-41-39-36-25-23-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-23,26-27,29-30,32-33,36,39,43,45,49,51,60H,6-7,9,11-13,18-19,24-25,28,31,34-35,37-38,40-42,44,46-48,50,52-59H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,23-21-,27-26-,30-29-,33-32-,39-36-,45-43-,51-49-/t60-/m1/s1 Image of MNXM225535
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:30]\[CH2:31]/[CH:32]=[CH:33]\[CH2:34][CH2:35][CH2:37][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][CH2:50][CH2:52][CH2:54][C:61](=[O:64])[O:68][CH2:58][C@H:60]([CH2:59][O:70][P:72](=[O:66])([O-:67])[O:69][CH2:57][CH2:56][N+:63]([CH3:3])([CH3:4])[CH3:5])[O:71][C:62]([CH2:55][CH2:53]/[CH:51]=[CH:49]\[CH2:47]/[CH:45]=[CH:43]\[CH2:41]/[CH:39]=[CH:36]\[CH2:25]/[CH:23]=[CH:21]\[CH2:19]/[CH:17]=[CH:15]\[CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])=[O:65]
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:000009217
slm:000009217
BOPFAWNIIXFNAU-VXNSDKNPSA-N
1-(14Z,17Z,20Z,23Z,26Z,29Z-dotriacontahexaenoyl)-2-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-sn-glycero-3-phosphocholine
PC(32:6(14Z,17Z,20Z,23Z,26Z,29Z)/22:5(4Z,7Z,10Z,13Z,16Z))
Phosphatidylcholine (32:6(14Z,17Z,20Z,23Z,26Z,29Z)/22:5(4Z,7Z,10Z,13Z,16Z))