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1-(21Z,24Z,27Z,30Z,33Z-hexatriacontapentaenoyl)-2-acetyl-sn-glycero-3-phospho-N-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-ethanolamine

Properties

Image

Occurences in reactions

MNX_ID

MNXM938758

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

formula

C₆₃H₁₀₅NO₉P

charge

-1

mass

1050.75324

reference

slm:000631143

InChIKey

QHTVEBNRUXKUAJ-NZMZZSTGSA-M

InChI

InChI=1S/C63H106NO9P/c1-4-6-8-10-12-14-16-18-20-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-39-41-43-45-47-49-51-53-55-63(67)70-58-61(73-60(3)65)59-72-74(68,69)71-57-56-64-62(66)54-52-50-48-46-44-42-40-38-21-19-17-15-13-11-9-7-5-2/h6,8,12-15,18-21,23-24,26-27,40,42,46,48,61H,4-5,7,9-11,16-17,22,25,28-39,41,43-45,47,49-59H2,1-3H3,(H,64,66)(H,68,69)/p-1/b8-6-,14-12-,15-13-,20-18-,21-19-,24-23-,27-26-,42-40-,48-46-/t61-/m1/s1

SMILES

CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)OC(C)=O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
SLM:000631143 slm:000631143	1-(21Z,24Z,27Z,30Z,33Z-hexatriacontapentaenoyl)-2-acetyl-sn-glycero-3-phospho-N-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-ethanolamine N-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-1-(21Z,24Z,27Z,30Z,33Z-hexatriacontapentaenoyl)-2-acetyl-sn-glycero-3-phosphoethanolamine NAPE (36:5(21Z,24Z,27Z,30Z,33Z)/2:0/20:4(5Z,8Z,11Z,14Z))