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20-dihydroxyleukotriene B4

PropertiesImage
MNX_IDMNXM734699 Image of MNXM734699
referencebiggM:CE2056
formulaC20H31O6
global charge-1
mol weight367.462
InChIKeyZZSBUQYGAPWEOJ-RMQNAGPKSA-M
InChIInChI=1S/C20H32O6/c21-17(11-6-2-1-3-9-15-19(23)24)12-7-4-5-8-13-18(22)14-10-16-20(25)26/h2,4-8,12-13,17-19,21-24H,1,3,9-11,14-16H2,(H,25,26)/p-1/b5-4+,6-2-,12-7+,13-8-/t17-,18-/m0/s1
SMILESO=C([O-])CCC[C@@H](O)/C=C\C=C\C=C\[C@@H](O)C/C=C\CCCCC(O)O
MNX internals
InChI (mnx)InChI=1/C20H32O6/c21-17(11-6-2-1-3-9-15-19(23)24)12-7-4-5-8-13-18(22)14-10-16-20(25)26/h2,4-8,12-13,17-19,21-24H,1,3,9-11,14-16H2,(H,25,26)/b5-4+,6-2-,12-7+,13-8-/t17-,18-/m0/s1 Image of MNXM734699
SMILES (mnx)[CH2:1](/[CH:2]=[CH:6]\[CH2:11][C@@H:17](/[CH:12]=[CH:7]/[CH:4]=[CH:5]/[CH:8]=[CH:13]\[C@@H:18]([CH2:14][CH2:10][CH2:16][C:20](=[O:25])[OH:26])[OH:22])[OH:21])[CH2:3][CH2:9][CH2:15][CH:19]([OH:23])[OH:24]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 5
Similar chemical compounds in external resources
IdentifierDescription

bigg.metabolite:CE2056
biggM:CE2056
ZZSBUQYGAPWEOJ-RMQNAGPKSA-M 		20-dihydroxyleukotriene B4
hmdb:HMDB0012635
ZZSBUQYGAPWEOJ-RMQNAGPKSA-N 		20-dihydroxyleukotriene B4
(5R,6Z,8E,10E,12S,14Z)-5,12,20,20-tetrahydroxyicosa-6,8,10,14-tetraenoic acid
(5S,12R)-5,12,20,20-Tetrahydroxyeicosa-(6Z,8E,10E,14Z)-tetraenoate
(5S,12R)-5,12,20,20-Tetrahydroxyeicosa-(6Z,8E,10E,14Z)-tetraenoic acid
(5S,12R)-5,12,20,20-Tetrahydroxyeicosa-(6Z,8E,10E,14Z)-tetraenoic acid anion
(5S,12R,20,20)-Tetrahydroxyeicosa-(6Z,8E,10E,14Z)-tetraenoate
(5S,12R,20,20)-Tetrahydroxyeicosa-(6Z,8E,10E,14Z)-tetraenoic acid
(5S,12R,20,20)-Tetrahydroxyeicosa-(6Z,8E,10E,14Z)-tetraenoic acid anion
(6Z,8E,10E,14Z)-(5S,12R)-5,12,20,20-Tetrahydroxyeicosa-6,8,10,14-tetraenoate
(6Z,8E,10E,14Z)-(5S,12R)-5,12,20,20-Tetrahydroxyeicosa-6,8,10,14-tetraenoic acid
20-(OH)(,2)-LTB4
20-Dihydroxy-LTB(,4)

lipidmaps:LMFA03020061
lipidmapsM:LMFA03020061
ZZSBUQYGAPWEOJ-RMQNAGPKSA-N 		20-dihydroxyleukotriene B4
(5R,6Z,8E,10E,12S,14Z)-5,12,20,20-tetrahydroxyicosa-6,8,10,14-tetraenoic acid
FA 20:4
O4

hmdb:HMDB12635
biggM:M_CE2056 		secondary/obsolete/fantasy identifier