CHEBI:133309 - 12-dehydro-leukotriene B4(1−)

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ChEBI Name 12-dehydro-leukotriene B4(1−)
ChEBI ID CHEBI:133309
ChEBI ASCII Name 12-dehydro-leukotriene B4(1-)
Definition An icosanoid anion that is the conjugate base of 12-dehydro-leukotriene B4, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Lucila Aimo
Supplier Information
Download Molfile XML SDF
Formula C20H29O4
Net Charge -1
Average Mass 333.443
Monoisotopic Mass 333.20713
InChI InChI=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)/p-1/b8-7+,9-6-,14-10+,15-11-/t19-/m1/s1
InChIKey SJVWVCVZWMJXOK-NOJHDUNKSA-M
SMILES C(C(/C=C/C=C/C=C\[C@H](CCCC([O-])=O)O)=O)/C=C\CCCCC
ChEBI Ontology
Outgoing 12-dehydro-leukotriene B4(1−) (CHEBI:133309) is a icosanoid anion (CHEBI:62937)
12-dehydro-leukotriene B4(1−) (CHEBI:133309) is conjugate base of 12-dehydro-leukotriene B4 (CHEBI:27814)
Incoming 12-dehydro-leukotriene B4 (CHEBI:27814) is conjugate acid of 12-dehydro-leukotriene B4(1−) (CHEBI:133309)
IUPAC Name
(5S,6Z,8E,10E,14Z)-5-hydroxy-12-oxoicosa-6,8,10,14-tetraenoate
Synonyms Sources
12-dehydroleukotriene B4(1−) ChEBI
12-oxo-leukotriene B4 UniProt
5(S)-hydroxy-12-oxo-(6Z,8E,10E,14Z)-eicosatetraenoate SUBMITTER
Last Modified
06 February 2017