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12-Oxo-20-trihydroxy-leukotriene B4

PropertiesImage
MNX_IDMNXM33279 Image of MNXM33279
referencechebi:172614
formulaC20H30O7
global charge0
mol weight382.453
InChIKeyQVZXILIWUPKGPA-CWJNPFRJSA-N
InChIInChI=1S/C20H30O7/c21-17(11-6-2-1-5-9-16-20(25,26)27)12-7-3-4-8-13-18(22)14-10-15-19(23)24/h2-4,6-8,12-13,18,22,25-27H,1,5,9-11,14-16H2,(H,23,24)/b4-3+,6-2-,12-7+,13-8-/t18-/m0/s1
SMILESO=C(O)CCC[C@@H](O)/C=C\C=C\C=C\C(=O)C/C=C\CCCCC(O)(O)O
MNX internals
InChI (mnx)InChI=1/C20H30O7/c21-17(11-6-2-1-5-9-16-20(25,26)27)12-7-3-4-8-13-18(22)14-10-15-19(23)24/h2-4,6-8,12-13,18,22,25-27H,1,5,9-11,14-16H2,(H,23,24)/b4-3+,6-2-,12-7+,13-8-/t18-/m0/s1 Image of MNXM33279
SMILES (mnx)[CH2:1](/[CH:2]=[CH:6]\[CH2:11][C:17](/[CH:12]=[CH:7]/[CH:3]=[CH:4]/[CH:8]=[CH:13]\[C@@H:18]([CH2:14][CH2:10][CH2:15][C:19](=[O:23])[OH:24])[OH:22])=[O:21])[CH2:5][CH2:9][CH2:16][C:20]([OH:25])([OH:26])[OH:27]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 3
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:172614
chebi:172614
QVZXILIWUPKGPA-CWJNPFRJSA-N 		12-Oxo-20-trihydroxy-leukotriene B4
(5R,6Z,8E,10E,14Z)-5,20,20,20-tetrahydroxy-12-oxoicosa-6,8,10,14-tetraenoic acid
hmdb:HMDB0012553
QVZXILIWUPKGPA-CWJNPFRJSA-N 		12-Oxo-20-trihydroxy-leukotriene B4
(5R,6Z,8E,10E,14Z)-5,20,20,20-tetrahydroxy-12-oxoicosa-6,8,10,14-tetraenoic acid
(5S,20,20,20)-Tetrahydroxy-12-oxo-(6Z,8E,10E,14Z)-eicosatetraenoate
(5S,20,20,20)-Tetrahydroxy-12-oxo-(6Z,8E,10E,14Z)-eicosatetraenoic acid
12-keto-20,20,20-Trihydroxy-leukotriene b(,4)
12-oxo-20,20,20-Trihydroxy-leukotriene b(,4)
DOxLTB4
Ox20THLTB4

lipidmaps:LMFA03020050
lipidmapsM:LMFA03020050
QVZXILIWUPKGPA-CWJNPFRJSA-N 		12-Oxo-20-trihydroxy-leukotriene B4
(5R,6Z,8E,10E,14Z)-5,20,20,20-tetrahydroxy-12-oxoicosa-6,8,10,14-tetraenoic acid
FA 20:5
O5

bigg.metabolite:CE5140
biggM:CE5140
vmhM:CE5140
vmhmetabolite:CE5140
QVZXILIWUPKGPA-CWJNPFRJSA-M 		12-oxo-20-trihydroxy-leukotriene B4

hmdb:HMDB12553
biggM:M_CE5140
vmhM:M_CE5140 		secondary/obsolete/fantasy identifier