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20-trihydroxy-leukotriene-B4

PropertiesImage
MNX_IDMNXM734723 Image of MNXM734723
referencebiggM:CE3554
formulaC20H31O7
global charge-1
mol weight383.461
InChIKeyUZWWTCBNUQJEPB-WLMOLUCVSA-M
InChIInChI=1S/C20H32O7/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/h2-4,6-8,12-13,17-18,21-22,25-27H,1,5,9-11,14-16H2,(H,23,24)/p-1/b4-3+,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)O
MNX internals
InChI (mnx)InChI=1/C20H32O7/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/h2-4,6-8,12-13,17-18,21-22,25-27H,1,5,9-11,14-16H2,(H,23,24)/b4-3+,6-2-,12-7+,13-8-/t17-,18-/m0/s1 Image of MNXM734723
SMILES (mnx)[CH2:1](/[CH:2]=[CH:6]\[CH2:11][C@@H: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])[OH: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)3
in models (compartimentalized) 3
Similar chemical compounds in external resources
IdentifierDescription

bigg.metabolite:CE3554
biggM:CE3554
vmhM:CE3554
vmhmetabolite:CE3554
UZWWTCBNUQJEPB-WLMOLUCVSA-M 		20-trihydroxy-leukotriene-B4
hmdb:HMDB0012643
UZWWTCBNUQJEPB-WLMOLUCVSA-N 		20-Trihydroxy-leukotriene-B4
(5R,6Z,8E,10E,12S,14Z)-5,12,20,20,20-pentahydroxyicosa-6,8,10,14-tetraenoic acid
(6Z,8E,10E,14Z)-(5S,12R)-5,12-Di-20-tri-hydroxyeicosa-6,8,10,14-tetraenoate
(6Z,8E,10E,14Z)-(5S,12R)-5,12-Di-20-tri-hydroxyeicosa-6,8,10,14-tetraenoic acid
20-OH(,3)-LTB4

lipidmaps:LMFA03020066
lipidmapsM:LMFA03020066
UZWWTCBNUQJEPB-WLMOLUCVSA-N 		20-Trihydroxy-leukotriene-B4
(5R,6Z,8E,10E,12S,14Z)-5,12,20,20,20-pentahydroxyicosa-6,8,10,14-tetraenoic acid
FA 20:4
O5

hmdb:HMDB12643
biggM:M_CE3554
vmhM:M_CE3554 		secondary/obsolete/fantasy identifier