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12,20-dioxoleukotriene B4(1-)

PropertiesImage
MNX_IDMNXM150182 Image of MNXM150182
referencechebi:133436
formulaC20H27O5
global charge-1
mol weight347.431
InChIKeyCPTWPKCLDUXOKW-RBQYXHKQSA-M
InChIInChI=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
SMILESO=CCCCC/C=C\CC(=O)/C=C/C=C/C=C\[C@@H](O)CCCC(=O)[O-]
MNX internals
InChI (mnx)InChI=1/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)/b5-4+,7-3-,13-8+,14-9-/t19-/m1/s1 Image of MNXM150182
SMILES (mnx)[CH2:1]([CH2:2][CH2:6][CH2:10][CH:17]=[O:21])/[CH:3]=[CH:7]\[CH2:12][C:18](/[CH:13]=[CH:8]/[CH:4]=[CH:5]/[CH:9]=[CH:14]\[C@H:19]([CH2:15][CH2:11][CH2:16][C:20](=[O:24])[OH:25])[OH:23])=[O:22]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:133436
chebi:133436
CPTWPKCLDUXOKW-RBQYXHKQSA-M 		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
CPTWPKCLDUXOKW-RBQYXHKQSA-N 		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
vmhM:CE5141
vmhmetabolite:CE5141
CPTWPKCLDUXOKW-RBQYXHKQSA-M 		12,20-dioxo-leukotriene B4

CHEBI:134520
chebi:134520
CPTWPKCLDUXOKW-RBQYXHKQSA-N 		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
vmhM:M_CE5141 		secondary/obsolete/fantasy identifier