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12-oxo-20-hydroxy-leukotriene B4

PropertiesImage
MNX_IDMNXM734273 Image of MNXM734273
referencebiggM:CE5138
formulaC20H29O5
global charge-1
mol weight349.447
InChIKeyCZWPUWRHQBAXJS-PABROBRYSA-M
InChIInChI=1S/C20H30O5/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/h3-5,7-9,13-14,19,21,23H,1-2,6,10-12,15-17H2,(H,24,25)/p-1/b5-4+,7-3-,13-8+,14-9-/t19-/m0/s1
SMILESO=C([O-])CCC[C@@H](O)/C=C\C=C\C=C\C(=O)C/C=C\CCCCCO
MNX internals
InChI (mnx)InChI=1/C20H30O5/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/h3-5,7-9,13-14,19,21,23H,1-2,6,10-12,15-17H2,(H,24,25)/b5-4+,7-3-,13-8+,14-9-/t19-/m0/s1 Image of MNXM734273
SMILES (mnx)[CH2:1]([CH2:2][CH2:6][CH2:10][CH2:17][OH: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)2
in models (compartimentalized) 4
Similar chemical compounds in external resources
IdentifierDescription

bigg.metabolite:CE5138
biggM:CE5138
vmhM:CE5138
vmhmetabolite:CE5138
CZWPUWRHQBAXJS-PABROBRYSA-M 		12-oxo-20-hydroxy-leukotriene B4
hmdb:HMDB0012552
CZWPUWRHQBAXJS-PABROBRYSA-N 		12-Oxo-20-hydroxy-leukotriene B4
(5R,6Z,8E,10E,14Z)-5,20-dihydroxy-12-oxoicosa-6,8,10,14-tetraenoic acid
(5S,20)-Dihydroxy-12-keto-(6Z,8E,10E,14Z)-eicosatetraenoate
(5S,20)-Dihydroxy-12-keto-(6Z,8E,10E,14Z)-eicosatetraenoic acid
(5S,20)-Dihydroxy-12-oxo-(6Z,8E,10E,14Z)-eicosatetraenoate
(5S,20)-Dihydroxy-12-oxo-(6Z,8E,10E,14Z)-eicosatetraenoic acid
12-keto-20-Hydroxy-leukotriene b(,4)
Ox20hLTB4

lipidmaps:LMFA03020049
lipidmapsM:LMFA03020049
CZWPUWRHQBAXJS-PABROBRYSA-N 		12-Oxo-20-hydroxy-leukotriene B4
(5R,6Z,8E,10E,14Z)-5,20-dihydroxy-12-oxoicosa-6,8,10,14-tetraenoic acid
FA 20:5
O3

hmdb:HMDB12552
biggM:M_CE5138
vmhM:M_CE5138 		secondary/obsolete/fantasy identifier