CHEBI:172594 - 12-Oxo-20-carboxy-leukotriene B4

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 12-Oxo-20-carboxy-leukotriene B4
ChEBI ID CHEBI:172594
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H28O6
Net Charge 0
Average Mass 364.438
Monoisotopic Mass 364.18859
InChI InChI=1S/C20H28O6/c21-17(11-6-2-1-3-9-15-19(23)24)12-7-4-5-8-13-18(22)14-10-16-20(25)26/h2,4-8,12-13,18,22H,1,3,9-11,14-16H2,(H,23,24)(H,25,26)/b5-4+,6-2-,12-7+,13-8-/t18-/m0/s1
InChIKey VLMCDTMNMDDMLC-NZXMSVEXSA-N
SMILES O[C@H](CCCC(O)=O)/C=C\C=C\C=C\C(=O)C/C=C\CCCCC(O)=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). See: MetaboLights Study
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 12-Oxo-20-carboxy-leukotriene B4 (CHEBI:172594) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name
(5R,6Z,8E,10E,14Z)-5-hydroxy-12-oxoicosa-6,8,10,14-tetraenedioic acid
Manual Xrefs Databases
30776624 ChemSpider
HMDB0012550 HMDB
LMFA03020047 LIPID MAPS
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