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1-(10Z,13Z,16Z-docosatrienoyl)-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-sn-glycero-3-phospho-N-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-ethanolamine

Properties

Image

Occurences in reactions

MNX_ID

MNXM957851

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₆₉H₁₀₇NO₉P

charge

-1

mass

1124.76889

reference

slm:000650236

InChIKey

CHFNEDWIKNVLJU-STXXDWEBSA-M

InChI

InChI=1S/C69H108NO9P/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-67(71)70-62-63-77-80(74,75)78-65-66(79-69(73)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)64-76-68(72)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-30,33-34,36-37,40-41,43-44,49-50,52-53,66H,4-6,8,11,13-15,22-24,31-32,35,38-39,42,45-48,51,54-65H2,1-3H3,(H,70,71)(H,74,75)/p-1/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,43-40-,44-41-,52-49-,53-50-/t66-/m1/s1

SMILES

CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)NCCOP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCC/C=C\C/C=C\C/C=C\CCCCC)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
SLM:000650236 slm:000650236	1-(10Z,13Z,16Z-docosatrienoyl)-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-sn-glycero-3-phospho-N-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-ethanolamine N-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-1-(10Z,13Z,16Z-docosatrienoyl)-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-sn-glycero-3-phosphoethanolamine NAPE (22:3(10Z,13Z,16Z)/22:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))