13-Tetradecynoic acid
PubChem CID
5312715
Structure
Molecular Formula
Synonyms
- 13-Tetradecynoic acid
- 82909-47-5
- Alkynyl Myristic Acid
- tetradec-13-ynoic acid
- MFCD18382104
Molecular Weight
224.34 g/mol
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Dates
- Create:2006-01-13
- Modify:2025-01-10
Description
13-tetradecynoic acid is a long-chain fatty acid.
Chemical Structure Depiction
tetradec-13-ynoic acid
Computed by Lexichem TK 2.7.0 (PubChem release 2024.11.20)
InChI=1S/C14H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h1H,3-13H2,(H,15,16)
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
JNXXRQLAAJXERE-UHFFFAOYSA-N
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
C#CCCCCCCCCCCCC(=O)O
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C14H24O2
Computed by PubChem 2.2 (PubChem release 2024.11.20)
82909-47-5
- 13-Tetradecynoic acid
- 82909-47-5
- Alkynyl Myristic Acid
- tetradec-13-ynoic acid
- MFCD18382104
- DTXSID50415589
- Alkynyl Myristic Acid (>90%)
- 13-TetradecynoicAcid
- Myristic Acid Alkyne
- 13-Tetradecyn-1-oic acid
- LCZC472
- SCHEMBL2802414
- DTXCID20366438
- CHEBI:196053
- JNXXRQLAAJXERE-UHFFFAOYSA-N
- LMFA01030594
- AKOS027257020
- 13-Tetradecynoic Acid 82909-47-5
- BP-23393
- CS-11981
- SY034595
- DB-103106
- HY-140335
- CS-0115159
- NS00096535
- W15678
- R01-0055
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
224.34 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
XLogP3
Property Value
4.2
Reference
Computed by XLogP3 3.0 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Donor Count
Property Value
1
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Rotatable Bond Count
Property Value
11
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Exact Mass
Property Value
224.177630004 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Monoisotopic Mass
Property Value
224.177630004 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Topological Polar Surface Area
Property Value
37.3 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Heavy Atom Count
Property Value
16
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
212
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
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
0
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]
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 Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
- ChEBI13-tetradecynoic acidhttps://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:196053
- EPA DSSTox13-Tetradecynoic acidhttps://comptox.epa.gov/dashboard/DTXSID50415589CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- Japan Chemical Substance Dictionary (Nikkaji)
- LIPID MAPSLipid Classificationhttps://www.lipidmaps.org/
- Metabolomics Workbench13-tetradecynoic acidhttps://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=1004
- Nature Chemistry
- Springer Nature
- Thieme ChemistryLICENSEThe Thieme Chemistry contribution within PubChem is provided under a CC-BY-NC-ND 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc-nd/4.0/
- Wikidata13-Tetradecynoic acidhttps://www.wikidata.org/wiki/Q82224529
- PubChem
- 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/
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
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