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12,20-dioxoleukotriene B4(1-)

Properties

Image

Occurences in reactions

MNX_ID

MNXM150182

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	1

formula

C₂₀H₂₇O₅

charge

-1

mass

347.1864

reference

chebi:133436

InChIKey

CPTWPKCLDUXOKW-RBQYXHKQSA-M

InChI

InChI=1S/C20H28O5/c21-17-10-6-2-1-3-7-12-18(22)13-8-4-5-9-14-19(23)15-11-16-20(24)25/h3-5,7-9,13-14,17,19,23H,1-2,6,10-12,15-16H2,(H,24,25)/p-1/b5-4+,7-3-,13-8+,14-9-/t19-/m1/s1

SMILES

O=CCCCC/C=C\CC(=O)/C=C/C=C/C=C\[C@@H](O)CCCC(=O)[O-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:133436 chebi:133436	12,20-dioxoleukotriene B4(1-) (5S,6Z,8E,10E,14Z)-5-hydroxy-12,20-dioxoicosa-6,8,10,14-tetraenoate 12,20-dioxo-LTB4(1-) 12,20-dioxo-leukotriene B4(1-)
hmdb:HMDB0060094	12,20-Dioxo-leukotriene B4 (5S,6Z,8E,10E,14Z)-5-hydroxy-12,20-dioxoicosa-6,8,10,14-tetraenoic acid 12,20-Dioxo-LTB4
bigg.metabolite:CE5141 biggM:CE5141	12,20-dioxo-leukotriene B4
CHEBI:134520 chebi:134520	12,20-dioxoleukotriene B4 (5S,6Z,8E,10E,14Z)-5-hydroxy-12,20-dioxoicosa-6,8,10,14-tetraenoic acid 12,20-dioxo-LTB4 12,20-dioxo-leukotriene B4
hmdb:HMDB60094 biggM:M_CE5141	secondary/obsolete/fantasy identifier