EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:72795 - 12-epi-leukotriene B4

ChEBI IDCHEBI:72795
ChEBI Name12-epi-leukotriene B4
Stars
ASCII Name12-epi-leukotriene B4
DefinitionA leukotriene that is the 12S-isomer of leukotriene B4.
Last Modified13 October 2014
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-CBBLYLIKSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
12-epi-leukotriene B4 (CHEBI:72795) has functional parent icosa-6,8,10,14-tetraenoic acid (CHEBI:36045)
12-epi-leukotriene B4 (CHEBI:72795) has role metabolite (CHEBI:25212)
12-epi-leukotriene B4 (CHEBI:72795) is a dihydroxy monocarboxylic acid (CHEBI:35972)
12-epi-leukotriene B4 (CHEBI:72795) is a hydroxy fatty acid (CHEBI:24654)
12-epi-leukotriene B4 (CHEBI:72795) is a leukotriene (CHEBI:25029)
12-epi-leukotriene B4 (CHEBI:72795) is a long-chain fatty acid (CHEBI:15904)
12-epi-leukotriene B4 (CHEBI:72795) is a polyunsaturated fatty acid (CHEBI:26208)
IUPAC Name 
(5S,6Z,8E,10E,12S,14Z)-5,12-dihydroxyicosa-6,8,10,14-tetraenoic acid
Synonyms  Source
12(S)-Leukotriene B4HMDB
12-epi-LTB4LIPID MAPS
5S,12S-dihydroxy-6Z,8E,10E,14Z-eicosatetraenoic acidLIPID MAPS
12S-LTB4ChEBI
Manual XrefsDatabases
LMFA03020015LIPID MAPS
HMDB0005089HMDB
Registry NumbersSources
Reaxys:4696045Reaxys
CAS:83709-73-3HMDB