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CHEBI:27814 - 12-dehydro-leukotriene B4

ChEBI IDCHEBI:27814
ChEBI Name12-dehydro-leukotriene B4
Stars
ASCII Name12-dehydro-leukotriene B4
DefinitionA long-chain fatty acid consisting of leukotriene B4 having a 12-keto group in place of the 12-hydroxy group.
Secondary ChEBI IDsCHEBI:742, CHEBI:19140
Last Modified5 March 2018
DownloadsMolfile
FormulaC20H30O4
Net Charge0
Average Mass334.456
Monoisotopic Mass334.21441
SMILESCCCCC/C=C\CC(=O)/C=C/C=C/C=C\[C@@H](O)CCCC(=O)O
InChIInChI=1S/C20H30O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,19,22H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7+,9-6-,14-10+,15-11-/t19-/m1/s1
InChIKeySJVWVCVZWMJXOK-NOJHDUNKSA-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)
12-dehydro-leukotriene B4 (CHEBI:27814) has functional parent icosa-6,8,10,14-tetraenoic acid (CHEBI:36045)
12-dehydro-leukotriene B4 (CHEBI:27814) has functional parent leukotriene B4 (CHEBI:15647)
12-dehydro-leukotriene B4 (CHEBI:27814) is a hydroxy polyunsaturated fatty acid (CHEBI:140345)
12-dehydro-leukotriene B4 (CHEBI:27814) is a leukotriene (CHEBI:25029)
12-dehydro-leukotriene B4 (CHEBI:27814) is a long-chain fatty acid (CHEBI:15904)
12-dehydro-leukotriene B4 (CHEBI:27814) is a oxo fatty acid (CHEBI:59644)
12-dehydro-leukotriene B4 (CHEBI:27814) is conjugate acid of 12-dehydro-leukotriene B4(1−) (CHEBI:133309)
Incoming Relation(s)
12-dehydro-leukotriene B4(1−) (CHEBI:133309) is conjugate base of 12-dehydro-leukotriene B4 (CHEBI:27814)
IUPAC Name 
(5S,6Z,8E,10E,14Z)-5-hydroxy-12-oxoicosa-6,8,10,14-tetraenoic acid
Synonyms  Source
12-Keto-leukotriene B4KEGG COMPOUND
12-Keto-LTB4KEGG COMPOUND
5-Hydroxy-12-oxo-delta5,8,11,14-eicosapolyenoic acidKEGG COMPOUND
12-Oxoleukotriene B4ChemIDplus
12-Oxo-ltb4ChemIDplus
5S-hydroxy-12-keto-6Z,8E,10E,14Z-eicosatetraenoic acidLIPID MAPS
Manual XrefsDatabases
C05949KEGG COMPOUND
LMFA03020024LIPID MAPS
Registry NumbersSources
Reaxys:7253020Reaxys
CAS:136696-10-1ChemIDplus
Citations