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1-O-octadecyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-3-(6Z,9Z,12Z-octadecatrienoyl)-sn-glycerol

Properties

Image

Occurences in reactions

MNX_ID

MNXM137763

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

formula

C₆₁H₁₀₂O₅

charge

mass

914.77273

reference

slm:000194974

InChIKey

BJNGRSZVTKMDIB-XQTXWXHYSA-N

InChI

InChI=1S/C61H102O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)58-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7,10,16,18-19,21,25,27-28,31-33,37,39-40,42,46,49,59H,4-6,8-9,11-15,17,20,22-24,26,29-30,34-36,38,41,43-45,47-48,50-58H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,32-31-,33-27-,40-37-,42-39-,49-46-/t59-/m1/s1

SMILES

CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COCCCCCCCCCCCCCCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
SLM:000194974 slm:000194974	1-O-octadecyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-3-(6Z,9Z,12Z-octadecatrienoyl)-sn-glycerol Monoalkyldiacylglycerol (O-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z)) TG(O-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z))
hmdb:HMDB0053250	TG(18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/O-18:0) (2R)-1-[(6Z,9Z,12Z)-Octadeca-6,9,12-trienoyloxy]-3-(octadecyloxy)propan-2-yl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid (2R)-1-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]-3-(octadecyloxy)propan-2-yl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate 1-(6Z,9Z,12Z-Octadecatrienoyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-3-octadecanyl-glycerol 1-g-Linolenoyl-2-docosahexaenoyl-3-stearyl-glycerol TAG(18:3/22:6/18:0) TAG(58:9) TG(18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/o-18:0) TG(18:3/22:6/18:0) TG(58:9) Tracylglycerol(18:3/22:6/18:0) Tracylglycerol(58:9) Triacylglycerol Triglyceride
hmdb:HMDB53250	secondary/obsolete/fantasy identifier