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12-oxo-leukotriene B4

PropertiesImage
MNX_IDMNXM6635 Image of MNXM6635
referencechebi:133309
formulaC20H29O4
global charge-1
mol weight333.448
InChIKeySJVWVCVZWMJXOK-NOJHDUNKSA-M
InChIInChI=1S/C20H30O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,19,22H,2-5,12-13,16-17H2,1H3,(H,23,24)/p-1/b8-7+,9-6-,14-10+,15-11-/t19-/m1/s1
SMILESCCCCC/C=C\CC(=O)/C=C/C=C/C=C\[C@@H](O)CCCC(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C20H30O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,19,22H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7+,9-6-,14-10+,15-11-/t19-/m1/s1 Image of MNXM6635
SMILES (mnx)[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5]/[CH:6]=[CH:9]\[CH2:13][C:18](/[CH:14]=[CH:10]/[CH:7]=[CH:8]/[CH:11]=[CH:15]\[C@H:19]([CH2:16][CH2:12][CH2:17][C:20](=[O:23])[OH:24])[OH:22])=[O:21]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)8
in models (compartimentalized) 16
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:133309
chebi:133309
SJVWVCVZWMJXOK-NOJHDUNKSA-M 		12-oxo-leukotriene B4
(5S,6Z,8E,10E,14Z)-5-hydroxy-12-oxoicosa-6,8,10,14-tetraenoate
12-dehydro-leukotriene B4(1-)
12-dehydroleukotriene B4(1-)
5(S)-hydroxy-12-oxo-(6Z,8E,10E,14Z)-eicosatetraenoate

seed.compound:cpd03538
seedM:cpd03538
SJVWVCVZWMJXOK-NOJHDUNKSA-M 		12-Keto-LTB4
12-Keto-leukotriene B4
5-Hydroxy-12-oxo-delta5,8,11,14-eicosapolyenoic acid
hmdb:HMDB0004234
SJVWVCVZWMJXOK-NOJHDUNKSA-N 		12-Keto-leukotriene B4
(5S,6Z,8E,10E,14Z)-5-Hydroxy-12-oxoeicosa-6,8,10,14-tetraenoate
(5S,6Z,8E,10E,14Z)-5-Hydroxy-12-oxoeicosa-6,8,10,14-tetraenoic acid
(5S,6Z,8E,10E,14Z)-5-Hydroxy-12-oxoicosa-6,8,10,14-tetraenoate
(5S,6Z,8E,10E,14Z)-5-Hydroxy-12-oxoicosa-6,8,10,14-tetraenoic acid
(5S,6Z,8E,10E,14Z)-5-hydroxy-12-oxoicosa-6,8,10,14-tetraenoic acid
12-Dehydro-leukotriene b4
12-Keto-LTB4
12-Oxoleukotriene b4
12-oxo-LTB4
5(S)-Hydroxy-12-oxo-6(Z),8(e),10(e),14(Z)-eicosatetraenoate
5(S)-Hydroxy-12-oxo-6(Z),8(e),10(e),14(Z)-eicosatetraenoic acid
5-Hydroxy-12-oxo-delta5,8,11,14-eicosapolyenoate
5-Hydroxy-12-oxo-delta5,8,11,14-eicosapolyenoic acid
5S-Hydroxy-12-keto-6Z,8E,10E,14Z-eicosatetraenoate
5S-Hydroxy-12-keto-6Z,8E,10E,14Z-eicosatetraenoic acid

kegg.compound:C05949
keggC:C05949
SJVWVCVZWMJXOK-NOJHDUNKSA-N 		12-Keto-leukotriene B4
12-Keto-LTB4
5-Hydroxy-12-oxo-Delta5,8,11,14-eicosapolyenoic acid

reactome:R-ALL-2142810
reactomeM:R-ALL-2142810
CHEBI:27814
chebi:27814
SJVWVCVZWMJXOK-NOJHDUNKSA-N 		12-dehydro-leukotriene B4
(5S,6Z,8E,10E,14Z)-5-hydroxy-12-oxoeicosa-6,8,10,14-tetraenoic acid
(5S,6Z,8E,10E,14Z)-5-hydroxy-12-oxoicosa-6,8,10,14-tetraenoic acid
12-Keto-LTB4
12-Keto-leukotriene B4
12-Oxo-ltb4
12-Oxoleukotriene B4
12-oxo-LTB4
5(S)-hydroxy-12-oxo-6(Z),8(E),10(E),14(Z)-eicosatetraenoic acid
5-Hydroxy-12-oxo-delta5,8,11,14-eicosapolyenoic acid
5S-hydroxy-12-keto-6Z,8E,10E,14Z-eicosatetraenoic acid

metacyc.compound:CPD-24714
metacycM:CPD-24714
SJVWVCVZWMJXOK-NOJHDUNKSA-M 		12-dehydro-leukotriene B4
(5S,6Z,8E,10E,14Z)-5-hydroxy-12-oxoicosa-6,8,10,14-tetraenoate
12-Keto-LTB4
12-keto-leukotriene B4
12-oxo-LTB4
12-oxo-leukotriene B4
5(S)-hydroxy-12-oxo-(6Z,8E,10E,14Z)-eicosatetraenoate

lipidmaps:LMFA03020024
lipidmapsM:LMFA03020024
SJVWVCVZWMJXOK-NOJHDUNKSA-N 		12-oxo-LTB4
12-oxo-Leukotriene B4
5S-hydroxy-12-keto-6Z,8E,10E,14Z-eicosatetraenoic acid
FA 20:5
O2

bigg.metabolite:CE4990
biggM:CE4990
SLM:000597640
slm:000597640
SJVWVCVZWMJXOK-NOJHDUNKSA-M 		12-oxo-leukotriene B4

vmhM:CE4990
vmhmetabolite:CE4990
SJVWVCVZWMJXOK-NOJHDUNKSA-M 		12-oxo-leukotriene B4
4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol

hmdb:HMDB0005086
hmdb:HMDB04234
hmdb:HMDB05086
chebi:19140
chebi:742
biggM:M_CE4990
keggC:M_C05949
seedM:M_cpd03538
vmhM:M_CE4990 		secondary/obsolete/fantasy identifier