CHEBI:165260 - 5S,6R-EpETrE

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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 5S,6R-EpETrE
ChEBI ID CHEBI:165260
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C20H32O3
Net Charge 0
Average Mass 320.473
Monoisotopic Mass 320.23514
InChI InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-19(23-18)16-14-17-20(21)22/h6-7,9-10,12-13,18-19H,2-5,8,11,14-17H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-/t18-,19+/m1/s1
InChIKey VBQNSZQZRAGRIX-GSKBNKFLSA-N
SMILES O1[C@H]([C@H]1C/C=C\C/C=C\C/C=C\CCCCC)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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 5S,6R-EpETrE (CHEBI:165260) is a epoxy fatty acid (CHEBI:61498)
IUPAC Name
4-[(2S,3R)-3-[(2Z,5Z,8Z)-tetradeca-2,5,8-trienyl]oxiran-2-yl]butanoic acid
Manual Xrefs Databases
29341373 ChemSpider
LMFA03080017 LIPID MAPS
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