17R,18S-EpETE
PubChem CID
5282277
Structure
Molecular Formula
Synonyms
- 17R,18S-EpETE
- CHEBI:76953
- 17(R),18(S)-EETeTr
- (5Z,8Z,11Z,14Z)-(17R,18S)-17,18-Epoxyicosa-5,8,11,14-tetraenoic acid
- (5Z,8Z,11Z,14Z)-16-[(2R,3S)-3-ethyloxiran-2-yl]hexadeca-5,8,11,14-tetraenoic acid
Molecular Weight
318.4 g/mol
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Dates
- Create:2005-06-24
- Modify:2025-01-11
Description
17(R),18(S)-EETeTr is a 17(18)-EpETE in which the epoxy group has (17R,18S)-configuration. It is a conjugate acid of a 17(R),18(S)-EETeTr(1-). It is an enantiomer of a 17(S),18(R)-EETeTr.
Chemical Structure Depiction
(5Z,8Z,11Z,14Z)-16-[(2R,3S)-3-ethyloxiran-2-yl]hexadeca-5,8,11,14-tetraenoic acid
Computed by LexiChem 2.6.6 (PubChem release 2019.06.18)
InChI=1S/C20H30O3/c1-2-18-19(23-18)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-20(21)22/h3,5-6,8-9,11-12,14,18-19H,2,4,7,10,13,15-17H2,1H3,(H,21,22)/b5-3-,8-6-,11-9-,14-12-/t18-,19+/m0/s1
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
GPQVVJQEBXAKBJ-VDTDYMMTSA-N
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
CC[C@H]1[C@H](O1)C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C20H30O3
Computed by PubChem 2.1 (PubChem release 2019.06.18)
- 17R,18S-EpETE
- CHEBI:76953
- 17(R),18(S)-EETeTr
- (5Z,8Z,11Z,14Z)-(17R,18S)-17,18-Epoxyicosa-5,8,11,14-tetraenoic acid
- (5Z,8Z,11Z,14Z)-16-[(2R,3S)-3-ethyloxiran-2-yl]hexadeca-5,8,11,14-tetraenoic acid
- 17R,18S-epoxy-5Z,8Z,11Z,14Z-eicosatetraenoic acid
- (17R,18S)-Epoxyeicosatetraenoic acid
- 725246-18-4
- (17R,18S)-epoxy-(5Z,8Z,11Z,14Z)-icosatetraenoic acid
- (17R,18S)-epoxy-(5Z,8Z,11Z,14Z)-eicosatetraenoic acid
- (5Z,8Z,11Z,14Z,17R,18S)-17,18-epoxyeicosatetraenoic acid
- (5Z,8Z,11Z,14Z,17R,18S)-17,18-epoxyicosatetraenoic acid
- (5z,8z,11z,14z)-16-((2r,3s)-3-ethyloxiran-2-yl)hexadeca-5,8,11,14-tetraenoic acid
- 17R,18S-Epoxy-5Z,8Z,11Z,14Z-icosatetraenoic acid
- 17R(18S)-EpETE
- CHEMBL1802675
- LMFA03000006
- AKOS040755126
- HY-113040A
- PD131419
- CS-0169373
- Q27146469
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
318.4 g/mol
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
XLogP3-AA
Property Value
4.8
Reference
Computed by XLogP3 3.0 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Donor Count
Property Value
1
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Rotatable Bond Count
Property Value
13
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Exact Mass
Property Value
318.21949481 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Monoisotopic Mass
Property Value
318.21949481 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Topological Polar Surface Area
Property Value
49.8 Ų
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Heavy Atom Count
Property Value
23
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
432
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
2
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
4
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2011.04.04)
Fatty Acyls [FA] -> Eicosanoids [FA03] -> Other Eicosanoids [FA0300]
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Same Connectivity Count
Same Parent, Connectivity Count
Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
- ChEBI17(R),18(S)-EETeTrhttps://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:76953
- ChEMBLLICENSEAccess to the web interface of ChEMBL is made under the EBI's Terms of Use (http://www.ebi.ac.uk/Information/termsofuse.html). The ChEMBL data is made available on a Creative Commons Attribution-Share Alike 3.0 Unported License (http://creativecommons.org/licenses/by-sa/3.0/).http://www.ebi.ac.uk/Information/termsofuse.html
- Japan Chemical Substance Dictionary (Nikkaji)
- KEGGLICENSEAcademic users may freely use the KEGG website. Non-academic use of KEGG generally requires a commercial licensehttps://www.kegg.jp/kegg/legal.html
- LIPID MAPSLipid Classificationhttps://www.lipidmaps.org/
- Metabolomics Workbench
- Springer Nature
- Wikidata17(R),18(S)-EETeTrhttps://www.wikidata.org/wiki/Q27146469
- PubChem
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
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