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CHEBI:63982 - Δ6-trans-12-epi-leukotriene B4

ChEBI IDCHEBI:63982
ChEBI NameΔ6-trans-12-epi-leukotriene B4
Stars
ASCII NameDelta(6)-trans-12-epi-leukotriene B4
DefinitionA leukotriene that is the 6-trans,12S-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+/m0/s1
InChIKeyVNYSSYRCGWBHLG-CTOJTRLNSA-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)
Δ6-trans-12-epi-leukotriene B4 (CHEBI:63982) has functional parent icosa-6,8,10,14-tetraenoic acid (CHEBI:36045)
Δ6-trans-12-epi-leukotriene B4 (CHEBI:63982) is a dihydroxy monocarboxylic acid (CHEBI:35972)
Δ6-trans-12-epi-leukotriene B4 (CHEBI:63982) is a hydroxy polyunsaturated fatty acid (CHEBI:140345)
Δ6-trans-12-epi-leukotriene B4 (CHEBI:63982) is a leukotriene (CHEBI:25029)
Δ6-trans-12-epi-leukotriene B4 (CHEBI:63982) is a long-chain fatty acid (CHEBI:15904)
Δ6-trans-12-epi-leukotriene B4 (CHEBI:63982) is conjugate acid of Δ6-trans-12-epi-leukotriene B4(1−) (CHEBI:133975)
Incoming Relation(s)
Δ6-trans-12-epi-leukotriene B4(1−) (CHEBI:133975) is conjugate base of Δ6-trans-12-epi-leukotriene B4 (CHEBI:63982)
IUPAC Name 
(5S,6E,8E,10E,12S,14Z)-5,12-dihydroxyicosa-6,8,10,14-tetraenoic acid
Synonyms  Source
6-trans-12-epi-LTB4SUBMITTER
5S,12S-dihydroxy-6E,8E,10E,14Z-eicosatetraenoic acidLIPID MAPS
6-trans-12-epi-Leukotriene B4LIPID MAPS
12-epi-Δ6-trans-leukotriene B4HMDB
5(S),12(S)-Dihydroxy-6,8,10,14-(trans,trans,trans,cis)-eicosatetraenoic acidHMDB
(5S,6E,8E,10E,12S,14Z)-5,12-dihydroxyeicosa-6,8,10,14-tetraenoic acidChEBI
Manual XrefsDatabases
LMFA03020014LIPID MAPS
HMDB0005088HMDB
Registry NumbersSources
Reaxys:4696047Reaxys
CAS:71548-19-1HMDB