CHEBI:72795 - 12-epi-leukotriene B4

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 12-epi-leukotriene B4
ChEBI ID CHEBI:72795
ChEBI ASCII Name 12-epi-leukotriene B4
Definition A leukotriene that is the 12S-isomer of leukotriene B4.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C20H32O4
Net Charge 0
Average Mass 336.46570
Monoisotopic Mass 336.23006
InChI InChI=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
InChIKey VNYSSYRCGWBHLG-CBBLYLIKSA-N
SMILES CCCCC\C=C/C[C@H](O)\C=C\C=C\C=C/[C@@H](O)CCCC(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
12(S)-Leukotriene B4 HMDB
12-epi-LTB4 LIPID MAPS
12S-LTB4 ChEBI
5S,12S-dihydroxy-6Z,8E,10E,14Z-eicosatetraenoic acid LIPID MAPS
Manual Xrefs Databases
HMDB0005089 HMDB
LMFA03020015 LIPID MAPS
View more database links
Registry Numbers Types Sources
4696045 Reaxys Registry Number Reaxys
83709-73-3 CAS Registry Number HMDB
Last Modified
13 October 2014