Nonanoylcarnitine
PubChem CID
53481660
Structure
Molecular Formula
Synonyms
- Nonanoylcarnitine
- O-nonanoylcarnitine
- 3-(nonanoyloxy)-4-(trimethylazaniumyl)butanoate
- Nonayl-L-carnitine
- Acylcarnitine C9:1
Molecular Weight
301.42 g/mol
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Dates
- Create:2011-11-09
- Modify:2025-01-18
Description
O-nonanoylcarnitine is a C9-acylcarnitine having nonanoyl as the acyl substituent. It has a role as a metabolite.
Nonanoylcarnitine has been reported in Homo sapiens with data available.
Nonanoylcarnitine is a metabolite found in or produced by Saccharomyces cerevisiae.
Chemical Structure Depiction
3-nonanoyloxy-4-(trimethylazaniumyl)butanoate
Computed by Lexichem TK 2.7.0 (PubChem release 2024.11.20)
InChI=1S/C16H31NO4/c1-5-6-7-8-9-10-11-16(20)21-14(12-15(18)19)13-17(2,3)4/h14H,5-13H2,1-4H3
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
MPSPNFAQQQMFLK-UHFFFAOYSA-N
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
CCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C16H31NO4
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
301.42 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
XLogP3-AA
Property Value
3.9
Reference
Computed by XLogP3 3.0 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Donor Count
Property Value
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Rotatable Bond Count
Property Value
12
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Exact Mass
Property Value
301.22530847 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Monoisotopic Mass
Property Value
301.22530847 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Topological Polar Surface Area
Property Value
66.4 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Heavy Atom Count
Property Value
21
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
304
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
1
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)
Solid
Fatty Acyls [FA] -> Fatty esters [FA07] -> Fatty acyl carnitines [FA0707]
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)
Same Count
PubMed Count
- Extracellular
- Membrane
Disease
References
Disease
Pregnancy
References
The Merck Manual, 17th ed. Mark H. Beers, MD, Robert Berkow, MD, eds. Whitehouse Station, NJ: Merck Research Labs, 1999.
Disease
Obesity
References
Metabolomics reveals determinants of weight loss during lifestyle intervention in obese children
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=MPSPNFAQQQMFLK-UHFFFAOYSA-N
The LOTUS Initiative for Open Natural Products Research: frozen dataset union wikidata (with metadata) | DOI:10.5281/zenodo.5794106
- ChEBIO-nonanoylcarnitinehttps://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:70997
- LOTUS - the natural products occurrence databaseLICENSEThe code for LOTUS is released under the GNU General Public License v3.0.https://lotus.nprod.net/Nonanoylcarnitinehttps://www.wikidata.org/wiki/Q27139241LOTUS Treehttps://lotus.naturalproducts.net/
- Yeast Metabolome Database (YMDB)Nonanoylcarnitinehttps://www.ymdb.ca/compounds/YMDB01539
- FooDBLICENSEFooDB is offered to the public as a freely available resource. Use and re-distribution of the data, in whole or in part, for commercial purposes requires explicit permission of the authors and explicit acknowledgment of the source material (FooDB) and the original publication.https://foodb.ca/aboutNonanoylcarnitinehttps://foodb.ca/compounds/FDB029365
- Human Metabolome Database (HMDB)LICENSEHMDB is offered to the public as a freely available resource. Use and re-distribution of the data, in whole or in part, for commercial purposes requires explicit permission of the authors and explicit acknowledgment of the source material (HMDB) and the original publication (see the HMDB citing page). We ask that users who download significant portions of the database cite the HMDB paper in any resulting publications.http://www.hmdb.ca/citingNonanoylcarnitinehttp://www.hmdb.ca/metabolites/HMDB0013288
- LIPID MAPSLipid Classificationhttps://www.lipidmaps.org/
- Natural Product Activity and Species Source (NPASS)
- MarkerDBLICENSEThis work is licensed under a Creative Commons Attribution-NonCommercial 4.0 International License.https://markerdb.ca/Nonanoylcarnitinehttps://markerdb.ca/chemicals/5091
- Metabolomics Workbench
- WikidataO-nonanoylcarnitinehttps://www.wikidata.org/wiki/Q27139241
- PubChem
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 387324574https://pubchem.ncbi.nlm.nih.gov/substance/387324574
CONTENTS