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CHEBI:63981 - 6-trans-leukotriene B4

ChEBI IDCHEBI:63981
ChEBI Name6-trans-leukotriene B4
Stars
ASCII Name6-trans-leukotriene B4
DefinitionA leukotriene that is the 6-trans-isomer of leukotriene B4.
Last Modified5 March 2018
Submittermwilliams
DownloadsMolfile
FormulaC20H32O4
Net Charge0
Average Mass336.472
Monoisotopic Mass336.23006
SMILESCCCCC/C=C\C[C@@H](O)/C=C/C=C/C=C/[C@@H](O)CCCC(=O)O
InChIInChI=1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18-19,21-22H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7+,9-6-,14-10+,15-11+/t18-,19-/m1/s1
InChIKeyVNYSSYRCGWBHLG-UKNWISKWSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
6-trans-leukotriene B4 (CHEBI:63981) has functional parent icosa-6,8,10,14-tetraenoic acid (CHEBI:36045)
6-trans-leukotriene B4 (CHEBI:63981) is a dihydroxy monocarboxylic acid (CHEBI:35972)
6-trans-leukotriene B4 (CHEBI:63981) is a hydroxy polyunsaturated fatty acid (CHEBI:140345)
6-trans-leukotriene B4 (CHEBI:63981) is a leukotriene (CHEBI:25029)
6-trans-leukotriene B4 (CHEBI:63981) is a long-chain fatty acid (CHEBI:15904)
6-trans-leukotriene B4 (CHEBI:63981) is conjugate acid of 6-trans-leukotriene B4(1−) (CHEBI:90723)
Incoming Relation(s)
20-hydroxy-6-trans-leukotriene B4 (CHEBI:90992) has functional parent 6-trans-leukotriene B4 (CHEBI:63981)
6-trans-leukotriene B4(1−) (CHEBI:90723) is conjugate base of 6-trans-leukotriene B4 (CHEBI:63981)
IUPAC Name 
(5S,6E,8E,10E,12R,14Z)-5,12-dihydroxyicosa-6,8,10,14-tetraenoic acid
Synonyms  Source
6-trans-LTB4SUBMITTER
Δ6-trans-leukotriene B4ChEBI
5S,12R-dihydroxy-6E,8E,10E,14Z-eicosatetraenoic acidLIPID MAPS
Δ6-trans-LT B4HMDB
(6E,5S,12R)-Leukotriene B4HMDB
5(S),12(R)-Dihydroxy-6,8,10,14-(trans,trans,trans,cis)-eicosatetraenoic acidHMDB
Manual XrefsDatabases
LMFA03020013LIPID MAPS
HMDB0005087HMDB
Registry NumbersSources
Reaxys:4235310Reaxys
CAS:71652-82-9HMDB
Citations