Record Information |
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Version | 1.0 |
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Created at | 2020-11-23 19:41:54 UTC |
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Updated at | 2021-08-12 19:52:18 UTC |
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NP-MRD ID | NP0002846 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | 2-Naphthaldehyde |
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Provided By | BMRB |
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Description | 2-Naphthaldehyde, also known as 2-formylnaphthalene, belongs to the class of organic compounds known as naphthalenes. Naphthalenes are compounds containing a naphthalene moiety, which consists of two fused benzene rings. 2-Naphthaldehyde exists in all living organisms, ranging from bacteria to humans. 2-Naphthaldehyde is a primary metabolite. Primary metabolites are metabolically or physiologically essential metabolites. They are directly involved in an organism’s growth, development or reproduction. 2-Naphthaldehyde is found in Mus musculus. It was first documented in 2008 (PMID: 17984079). Based on a literature review a significant number of articles have been published on 2-Naphthaldehyde (PMID: 21447597) (PMID: 24122667) (PMID: 34529053) (PMID: 34280954). |
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Structure | InChI=1S/C11H8O/c12-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-8H |
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Synonyms | Value | Source |
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2-Formylnaphthalene | ChEBI | 2-Naphthalenecarboxaldehyde | ChEBI | beta-Formylnaphthalene | ChEBI | beta-Naphthaldehyde | ChEBI | b-Formylnaphthalene | Generator | Β-formylnaphthalene | Generator | b-Naphthaldehyde | Generator | Β-naphthaldehyde | Generator |
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Chemical Formula | C11H8O |
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Average Mass | 156.1806 Da |
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Monoisotopic Mass | 156.05751 Da |
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IUPAC Name | naphthalene-2-carbaldehyde |
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Traditional Name | 2-naphthaldehyde |
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CAS Registry Number | Not Available |
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SMILES | O=CC1=CC2=CC=CC=C2C=C1 |
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InChI Identifier | InChI=1S/C11H8O/c12-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-8H |
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InChI Key | PJKVFARRVXDXAD-UHFFFAOYSA-N |
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Experimental Spectra |
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| Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
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1D NMR | 1H NMR Spectrum (1D, 500 MHz, acetone, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 500 MHz, acetone, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 500 MHz, acetone, experimental) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum |
| Predicted Spectra |
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| Not Available | Chemical Shift Submissions |
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| Not Available | Species |
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Species of Origin | |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as naphthalenes. Naphthalenes are compounds containing a naphthalene moiety, which consists of two fused benzene rings. |
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Kingdom | Organic compounds |
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Super Class | Benzenoids |
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Class | Naphthalenes |
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Sub Class | Not Available |
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Direct Parent | Naphthalenes |
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Alternative Parents | |
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Substituents | - Naphthalene
- Aryl-aldehyde
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Aldehyde
- Aromatic homopolycyclic compound
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Molecular Framework | Aromatic homopolycyclic compounds |
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External Descriptors | |
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Physical Properties |
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State | Not Available |
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Experimental Properties | Property | Value | Reference |
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Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
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Predicted Properties | |
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External Links |
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HMDB ID | HMDB0060349 |
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DrugBank ID | Not Available |
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Phenol Explorer Compound ID | Not Available |
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FoodDB ID | Not Available |
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KNApSAcK ID | C00034924 |
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Chemspider ID | 5966 |
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KEGG Compound ID | C14099 |
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BioCyc ID | Not Available |
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BiGG ID | Not Available |
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Wikipedia Link | Not Available |
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METLIN ID | Not Available |
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PubChem Compound | 6201 |
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PDB ID | Not Available |
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ChEBI ID | 52368 |
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Good Scents ID | Not Available |
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References |
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General References | - Magrane M: UniProt Knowledgebase: a hub of integrated protein data. Database (Oxford). 2011 Mar 29;2011:bar009. doi: 10.1093/database/bar009. Print 2011. [PubMed:21447597 ]
- Ulrich EL, Akutsu H, Doreleijers JF, Harano Y, Ioannidis YE, Lin J, Livny M, Mading S, Maziuk D, Miller Z, Nakatani E, Schulte CF, Tolmie DE, Kent Wenger R, Yao H, Markley JL: BioMagResBank. Nucleic Acids Res. 2008 Jan;36(Database issue):D402-8. doi: 10.1093/nar/gkm957. Epub 2007 Nov 4. [PubMed:17984079 ]
- Singh R, Trivedi VD, Phale PS: Purification and characterization of NAD+ -dependent salicylaldehyde dehydrogenase from carbaryl-degrading Pseudomonas sp. strain C6. Appl Biochem Biotechnol. 2014 Jan;172(2):806-19. doi: 10.1007/s12010-013-0581-8. [PubMed:24122667 ]
- Oh JA, Shin HS, Lim HH: A Sensitive Ultra-High Performance Liquid Chromatography-Tandem Mass Spectrometry Method Based on Derivatization with 1-Nitro-2-Naphthaldehyde for Determination of Alkylhydrazines in Surface water. J AOAC Int. 2021 Sep 16. pii: 6371191. doi: 10.1093/jaoacint/qsab112. [PubMed:34529053 ]
- Chao J, Wang Z, Zhang Y, Huo F, Yin C: A near-infrared fluorescent probe targeting mitochondria for sulfite detection and its application in food and biology. Anal Methods. 2021 Aug 12;13(31):3535-3542. doi: 10.1039/d1ay00918d. [PubMed:34280954 ]
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