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CHEBI:136597 - 12-oxo-6-trans-leukotriene B4

ChEBI IDCHEBI:136597
ChEBI Name12-oxo-6-trans-leukotriene B4
Stars
ASCII Name12-oxo-6-trans-leukotriene B4
DefinitionA leukotriene consisting of 6-trans-leukotriene B4 having a 12-keto group in place of the 12-hydroxy group.
Last Modified5 March 2018
SubmitterSteve
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-TWMXWPQVSA-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-oxo-6-trans-leukotriene B4 (CHEBI:136597) has functional parent icosa-6,8,10,14-tetraenoic acid (CHEBI:36045)
12-oxo-6-trans-leukotriene B4 (CHEBI:136597) is a hydroxy polyunsaturated fatty acid (CHEBI:140345)
12-oxo-6-trans-leukotriene B4 (CHEBI:136597) is a leukotriene (CHEBI:25029)
12-oxo-6-trans-leukotriene B4 (CHEBI:136597) is a long-chain fatty acid (CHEBI:15904)
12-oxo-6-trans-leukotriene B4 (CHEBI:136597) is a oxo fatty acid (CHEBI:59644)
12-oxo-6-trans-leukotriene B4 (CHEBI:136597) is conjugate acid of 12-oxo-6-trans-leukotriene B4(1−) (CHEBI:133974)
Incoming Relation(s)
12-oxo-6-trans-leukotriene B4(1−) (CHEBI:133974) is conjugate base of 12-oxo-6-trans-leukotriene B4 (CHEBI:136597)
IUPAC Name 
(5S,6E,8E,10E,14Z)-5-hydroxy-12-oxoicosa-6,8,10,14-tetraenoic acid
Synonyms  Source
12-keto-(5S)-hydroxy-(6E,8E,10E,14Z)-icosatetraenoic acidChEBI
(5S,6E,8E,10E,14Z)-5-hydroxy-12-oxoicosatetraenoic acidChEBI
12-dehydro-6-trans-leukotriene B4ChEBI
12-keto-6-trans-leukotriene B4ChEBI
12-oxo-(5S)-hydroxy-(6E,8E,10E,14Z)-eicosatetraenoic acidChEBI
12-oxo-6-trans-LTB4ChEBI
Registry NumbersSources
Reaxys:7253021Reaxys