5,8,11,14-Eicosatetraenoic acid
PubChem CID
5312542
Structure
Chemical Safety
Molecular Formula
Synonyms
- 5,8,11,14-Eicosatetraenoic acid
- Icosa-5,8,11,14-tetraenoic acid
- CHEMBL267484
- 5,8,11,14-Icosatetraenoic Acid
- ArachidonicAcid-d11
Molecular Weight
304.5 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2004-09-16
- Modify:2025-01-04
Description
Icosa-5,8,11,14-tetraenoic acid is any icosatetraenoic acid with the double bonds at positions 5, 8, 11 and 14.
Chemical Structure Depiction
(5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoic acid
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6+,10-9+,13-12+,16-15+
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
YZXBAPSDXZZRGB-CGRWFSSPSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
CCCCC/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)
C20H32O2
Computed by PubChem 2.2 (PubChem release 2021.10.14)
7771-44-0
- 5,8,11,14-Eicosatetraenoic acid
- Icosa-5,8,11,14-tetraenoic acid
- CHEMBL267484
- 5,8,11,14-Icosatetraenoic Acid
- ArachidonicAcid-d11
- C20:4n-6,9,12,15
- arachidonsaure
- Immunocytophyt;Immunocytophyte;Vevodar
- ARACHIDONIC_ACID
- SCHEMBL16163
- SCHEMBL23768
- (5E,8E,11E,14E)-Icosa-5,8,11,14-tetraenoic acid
- CHEBI:36306
- BDBM50546238
- eicosa-5,8,11,14-tetraenoic acid
- LMFA01030393
- AKOS015892940
- PD130007
- NS00013367
- EN300-260389
- C20:4, n-6,9,12,15
- Q27116784
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
304.5 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3-AA
Property Value
6.3
Reference
Computed by XLogP3 3.0 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
1
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
14
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
304.240230259 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
304.240230259 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
37.3 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
22
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
362
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
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 2021.10.14)
Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Unsaturated fatty acids [FA0103]
MoNA ID
MS Category
Experimental
MS Type
Other
MS Level
MS2
Precursor Type
[M+H]+
Precursor m/z
305.249
Instrument
Q-TOF
Ionization Mode
positive
Top 5 Peaks
305.249084 100
306.250061 20.53
287.237366 19.35
221.154739 16.66
207.138855 11.72
MoNA ID
MS Category
In-Silico
MS Type
Other
MS Level
MS2
Precursor Type
[M-H]-
Precursor m/z
303.23241
Instrument
SCIEX 5600
Instrument Type
in-silico QTOF
Ionization Mode
negative
Collision Energy
45 V
Retention Time
3.76
Top 5 Peaks
303.2324 100
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 Stereo Count
Same Isotope Count
Same Parent, Connectivity Count
Same Parent, Stereo Count
Same Parent, Isotope Count
Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Protein Structures Count
GHS Hazard Statements
Not Classified
Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.
Not Classified
New Zealand EPA Inventory of Chemical Status
5,8,11,14-Eicosatetraenoic acid: Does not have an individual approval but may be used under an appropriate group standard
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=YZXBAPSDXZZRGB-CGRWFSSPSA-N
- ChEBIIcosa-5,8,11,14-tetraenoic acidhttps://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:36306
- 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.htmlChEMBL Protein Target Treehttps://www.ebi.ac.uk/chembl/g/#browse/targets
- European Chemicals Agency (ECHA)LICENSEUse of the information, documents and data from the ECHA website is subject to the terms and conditions of this Legal Notice, and subject to other binding limitations provided for under applicable law, the information, documents and data made available on the ECHA website may be reproduced, distributed and/or used, totally or in part, for non-commercial purposes provided that ECHA is acknowledged as the source: "Source: European Chemicals Agency, http://echa.europa.eu/". Such acknowledgement must be included in each copy of the material. ECHA permits and encourages organisations and individuals to create links to the ECHA website under the following cumulative conditions: Links can only be made to webpages that provide a link to the Legal Notice page.https://echa.europa.eu/web/guest/legal-noticeicosa-5,8,11,14-tetraenoic acidhttps://echa.europa.eu/substance-information/-/substanceinfo/100.213.483icosa-5,8,11,14-tetraenoic acid (EC: 934-732-5)https://echa.europa.eu/information-on-chemicals/cl-inventory-database/-/discli/details/218589
- Japan Chemical Substance Dictionary (Nikkaji)
- LIPID MAPSLipid Classificationhttps://www.lipidmaps.org/
- MassBank of North America (MoNA)LICENSEThe content of the MoNA database is licensed under CC BY 4.0.https://mona.fiehnlab.ucdavis.edu/documentation/license
- Metabolomics Workbench5,8,11,14-eicosatetraenoic acidhttps://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=809
- Natural Product Activity and Species Source (NPASS)
- Nature Chemical Biology
- New Zealand Environmental Protection Authority (EPA)LICENSEThis work is licensed under the Creative Commons Attribution-ShareAlike 4.0 International licence.https://www.epa.govt.nz/about-this-site/general-copyright-statement/
- Springer Nature
- Wikidata
- PubChem
- GHS Classification (UNECE)GHS Classification Treehttp://www.unece.org/trans/danger/publi/ghs/ghs_welcome_e.html
- NORMAN Suspect List ExchangeLICENSEData: CC-BY 4.0; Code (hosted by ECI, LCSB): Artistic-2.0https://creativecommons.org/licenses/by/4.0/NORMAN Suspect List Exchange Classificationhttps://www.norman-network.com/nds/SLE/
- LOTUS - the natural products occurrence databaseLICENSEThe code for LOTUS is released under the GNU General Public License v3.0.https://lotus.nprod.net/LOTUS Treehttps://lotus.naturalproducts.net/
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 403407986https://pubchem.ncbi.nlm.nih.gov/substance/403407986
CONTENTS