Record Information |
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Version | 1.0 |
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Creation date | 2010-04-08 22:04:53 UTC |
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Update date | 2019-11-26 02:56:07 UTC |
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Primary ID | FDB001216 |
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Secondary Accession Numbers | Not Available |
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Chemical Information |
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FooDB Name | Arabinan |
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Description | Cytarabine, also known as arac or cytosar, belongs to the class of organic compounds known as pyrimidine nucleosides. Pyrimidine nucleosides are compounds comprising a pyrimidine base attached to a ribosyl or deoxyribosyl moiety. Cytarabine is an extremely weak basic (essentially neutral) compound (based on its pKa). Cytarabine exists in all living species, ranging from bacteria to humans. Cytarabine has been detected, but not quantified in, several different foods, such as guava, herbs and spices, pomes, root vegetables, and sweet oranges. This could make cytarabine a potential biomarker for the consumption of these foods. Cytarabine is a potentially toxic compound. |
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CAS Number | 11078-27-6 |
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Structure | |
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Synonyms | Synonym | Source |
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1-beta-D-Arabinofuranosylcytosine | ChEBI | 4-Amino-1-beta-D-arabinofuranosyl-2(1H)-pyrimidinone | ChEBI | Ara-C | ChEBI | Arabinocytosine | ChEBI | Arabinoside C | ChEBI | Citarabina | ChEBI | Cytarabinum | ChEBI | Cytosine arabinoside | ChEBI | Cytosine-1-beta-D-arabinofuranoside | ChEBI | Cytosine-beta-D-arabinofuranoside | ChEBI | Depocyt | Kegg | 1-b-D-Arabinofuranosylcytosine | Generator | 1-Β-D-arabinofuranosylcytosine | Generator | 4-Amino-1-b-D-arabinofuranosyl-2(1H)-pyrimidinone | Generator | 4-Amino-1-β-D-arabinofuranosyl-2(1H)-pyrimidinone | Generator | Cytosine-1-b-D-arabinofuranoside | Generator | Cytosine-1-β-D-arabinofuranoside | Generator | Cytosine-b-D-arabinofuranoside | Generator | Cytosine-β-D-arabinofuranoside | Generator | (beta-D-Arabinofuranosyl)cytosine | HMDB | 1-Arabinofuranosylcytosine | HMDB | 1-beta -D-Arabinofaranosylcytosine | HMDB | 1-beta -D-Arabinofuranosyl-4-amino-2(1H)pyrimidinone | HMDB | 1-beta -D-Arabinofuranosylcytosine | HMDB | 1-beta-D-Arabinofaranosylcytosine | HMDB | 1-beta-D-Arabinofuranosyl-4-amino-2(1H)pyrimidinone | HMDB | 1-beta-D-Arabinofuranosyl-cytosine | HMDB | 1-beta-D-Arabinofuranosylcytosine, cytosine arabinoside | HMDB | 1-beta-D-Arabinosyl-cytosine | HMDB | 1-beta-D-Arabinosylcytosine | HMDB | 1beta -Arabinofuranasylcytosine | HMDB | 1beta -D-Arabinofuranosylcytosine | HMDB | 1beta -D-Arabinosylcytosine | HMDB | 1beta-Arabinofuranasylcytosine | HMDB | 1beta-D-Arabinofuranosylcytosine | HMDB | 1beta-D-Arabinosylcytosine | HMDB | 2(1H)-Pyrimidinone, 4-amino-1- -D-arabinofuranosyl | HMDB | 4-Amino-1-arabinofuranosyl-2-oxo-1,2-dihydropyrimidin | HMDB | 4-Amino-1-arabinofuranosyl-2-oxo-1,2-dihydropyrimidine | HMDB | 4-Amino-1-b-D-arabinofuranosyl-2-(1H)-pyrimidinone | HMDB | 4-Amino-1-beta-D-arabinofuranosylpyrimidin-2(1H)-one | HMDB | Alexan | HMDB | Arabinocytidine | HMDB | Arabinofuranosylcytosine | HMDB | Arabinosylcytosine | HMDB | Arabitin | HMDB | AraC | HMDB | Aracytidine | HMDB | Aracytin | HMDB | Aracytine | HMDB | Arafcyt | HMDB | beta -Arabinosylcytosine | HMDB | beta -Cytosine arabinoside | HMDB | beta -D-Arabinosylcytosine | HMDB | beta-Ara c | HMDB | beta-Arabinosylcytosine | HMDB | beta-Cytosine arabinoside | HMDB | beta-D-Arabinosylcytosine | HMDB | Cytarabin | HMDB | Cytarabina | HMDB | Cytarabine liposome injection | HMDB | Cytarabinoside | HMDB | Cytonal | HMDB | Cytosar | HMDB | Cytosar-u | HMDB | Cytosine 1-beta-D-arabinofuranoside | HMDB | Cytosine arabinofuranoside | HMDB | Cytosine arabinose | HMDB | Cytosine beta-D-arabinofuranoside | HMDB | Cytosine beta-D-arabinoside | HMDB | Cytosine, beta -D-arabinoside | HMDB | Cytosine, beta-D-arabinoside | HMDB | Cytosine-1-beta-D-arabinofuranoside hydrochloride | HMDB | Cytosine-beta -arabinoside | HMDB | Cytosine-beta -D-arabinofuranoside | HMDB | Cytosine-beta-arabinoside | HMDB | Cytosinearabinoside | HMDB | Depocyte | HMDB | Erpalfa | HMDB | Iretin | HMDB | Spongocytidine | HMDB | Tarabine | HMDB | Udicil | HMDB | Arabinoside, cytosine | HMDB | CytosarU | HMDB | Hydrochloride, cytarabine | HMDB | Cytarabine hydrochloride | HMDB | Cytosar u | HMDB | Ara C | HMDB | beta Ara C | HMDB | Cytarabine | MeSH | 2,5-Arabinan | biospider | Araban | db_source |
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Predicted Properties | |
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Chemical Formula | C9H13N3O5 |
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IUPAC name | 4-amino-1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydropyrimidin-2-one |
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InChI Identifier | InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7+,8-/m1/s1 |
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InChI Key | UHDGCWIWMRVCDJ-CCXZUQQUSA-N |
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Isomeric SMILES | NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O |
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Average Molecular Weight | 243.2166 |
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Monoisotopic Molecular Weight | 243.085520541 |
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Classification |
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Description | Belongs to the class of organic compounds known as pyrimidine nucleosides. Pyrimidine nucleosides are compounds comprising a pyrimidine base attached to a ribosyl or deoxyribosyl moiety. |
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Kingdom | Organic compounds |
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Super Class | Nucleosides, nucleotides, and analogues |
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Class | Pyrimidine nucleosides |
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Sub Class | Not Available |
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Direct Parent | Pyrimidine nucleosides |
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Alternative Parents | |
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Substituents | - Pyrimidine nucleoside
- Glycosyl compound
- N-glycosyl compound
- Pentose monosaccharide
- Aminopyrimidine
- Pyrimidone
- Hydropyrimidine
- Monosaccharide
- Pyrimidine
- Imidolactam
- Tetrahydrofuran
- Heteroaromatic compound
- Secondary alcohol
- Oxacycle
- Azacycle
- Organoheterocyclic compound
- Organic nitrogen compound
- Primary alcohol
- Organic oxide
- Organooxygen compound
- Organonitrogen compound
- Amine
- Alcohol
- Organopnictogen compound
- Organic oxygen compound
- Primary amine
- Hydrocarbon derivative
- Aromatic heteromonocyclic compound
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Molecular Framework | Aromatic heteromonocyclic compounds |
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External Descriptors | |
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Ontology |
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Disposition | Route of exposure: Source: Biological location: |
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Role | Environmental role: Industrial application: |
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Physico-Chemical Properties - Experimental |
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Physico-Chemical Properties - Experimental | Property | Value | Reference |
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Physical state | Not Available | |
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Physical Description | Not Available | |
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Mass Composition | C 45.46%; H 6.10%; O 48.44% | DFC |
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Melting Point | Not Available | |
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Boiling Point | Not Available | |
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Experimental Water Solubility | Not Available | |
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Experimental logP | Not Available | |
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Experimental pKa | Not Available | |
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Isoelectric point | Not Available | |
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Charge | Not Available | |
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Optical Rotation | [a]D -129 (H2O) | DFC |
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Spectroscopic UV Data | Not Available | |
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Density | Not Available | |
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Refractive Index | Not Available | |
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Spectra |
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Spectra | |
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EI-MS/GC-MS | Type | Description | Splash Key | View |
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GC-MS | Arabinan, 5 TMS, GC-MS Spectrum | splash10-0zfr-2951000000-7baf0e1ea8b1a34362e2 | Spectrum | GC-MS | Arabinan, 4 TMS, GC-MS Spectrum | splash10-0g4j-2980000000-9337623aef7fec22dd97 | Spectrum | GC-MS | Arabinan, non-derivatized, GC-MS Spectrum | splash10-0zfr-2951000000-7baf0e1ea8b1a34362e2 | Spectrum | GC-MS | Arabinan, non-derivatized, GC-MS Spectrum | splash10-0g4j-2980000000-9337623aef7fec22dd97 | Spectrum | Predicted GC-MS | Arabinan, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-08ml-9320000000-b032ad2c3dbed3face55 | Spectrum | Predicted GC-MS | Arabinan, 3 TMS, Predicted GC-MS Spectrum - 70eV, Positive | splash10-0fuu-3934200000-7c3baaaffddf6aacd0f3 | Spectrum | Predicted GC-MS | Arabinan, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum |
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MS/MS | Type | Description | Splash Key | View |
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MS/MS | LC-MS/MS Spectrum - LC-ESI-QQ , negative | splash10-0006-0190000000-eff861edb69ddab2c195 | Spectrum | MS/MS | LC-MS/MS Spectrum - LC-ESI-QQ , negative | splash10-0a4i-0900000000-4b5b14f0a5467db173b6 | Spectrum | MS/MS | LC-MS/MS Spectrum - LC-ESI-QQ , negative | splash10-0a4i-3900000000-d85ae6c771dd9206c4c2 | Spectrum | MS/MS | LC-MS/MS Spectrum - LC-ESI-QQ , negative | splash10-06sl-9600000000-b154ca170372bcbf8a4a | Spectrum | MS/MS | LC-MS/MS Spectrum - LC-ESI-QQ , negative | splash10-00lu-9200000000-840df44a2d1149f4a7f7 | Spectrum | MS/MS | LC-MS/MS Spectrum - LC-ESI-QQ , positive | splash10-01ox-0790000000-270551529aa609aa9ce8 | Spectrum | MS/MS | LC-MS/MS Spectrum - LC-ESI-QQ , positive | splash10-03di-0900000000-855a7f8775ed4351b290 | Spectrum | MS/MS | LC-MS/MS Spectrum - LC-ESI-QQ , positive | splash10-03di-0900000000-50671582f88f6b4d8cee | Spectrum | MS/MS | LC-MS/MS Spectrum - LC-ESI-QQ , positive | splash10-03di-1900000000-54269291900f80d353c3 | Spectrum | MS/MS | LC-MS/MS Spectrum - LC-ESI-QQ , positive | splash10-03di-7900000000-ae3ff52581cbe6141064 | Spectrum | MS/MS | LC-MS/MS Spectrum - LC-ESI-IT , positive | splash10-03di-0900000000-9f3ae8e87da22e4e2e82 | Spectrum | MS/MS | LC-MS/MS Spectrum - 35V, Negative | splash10-0btc-3910000000-0c7172b1308a7ac699d4 | Spectrum | MS/MS | LC-MS/MS Spectrum - 35V, Positive | splash10-03di-0900000000-204e273853aa2d8e09ab | Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-03di-0910000000-9575881412c4c94a7eae | Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-03di-5900000000-2cb5f7e3dbd7baa35b56 | Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-03dj-9600000000-7d281b2b2d57c8786e11 | Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-01ox-0960000000-db9207082a1fabf42dae | Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-03xs-4910000000-c89de30dd376cbcb3b66 | Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-00kf-9200000000-5715839499753b91f845 | Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-03di-0900000000-61fe3ac4032a2baf1b89 | Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-03di-2900000000-230b224d4d0dd71d0a49 | Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-02t9-9200000000-7262e80c4fe078b890fc | Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-03di-2900000000-66dec45988a096cc3483 | Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-01ox-9500000000-bc463e76fd8ac42ac1d0 | Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0006-9100000000-98e1626c7f485521a57f | Spectrum |
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NMR | |
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External Links |
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ChemSpider ID | Not Available |
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ChEMBL ID | Not Available |
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KEGG Compound ID | C01873 |
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Pubchem Compound ID | Not Available |
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Pubchem Substance ID | Not Available |
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ChEBI ID | Not Available |
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Phenol-Explorer ID | Not Available |
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DrugBank ID | Not Available |
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HMDB ID | Not Available |
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CRC / DFC (Dictionary of Food Compounds) ID | BWP79-H:BWP79-H |
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EAFUS ID | Not Available |
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Dr. Duke ID | ARABAN |
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BIGG ID | Not Available |
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KNApSAcK ID | Not Available |
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HET ID | Not Available |
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Food Biomarker Ontology | Not Available |
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VMH ID | Not Available |
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Flavornet ID | Not Available |
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GoodScent ID | Not Available |
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SuperScent ID | Not Available |
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Wikipedia ID | Not Available |
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Phenol-Explorer Metabolite ID | Not Available |
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Duplicate IDS | Not Available |
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Old DFC IDS | Not Available |
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Associated Foods |
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Food | Content Range | Average | Reference |
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Food | | | Reference |
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Biological Effects and Interactions |
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Health Effects / Bioactivities | Not Available |
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Enzymes | Not Available |
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Pathways | Not Available |
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Metabolism | Not Available |
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Biosynthesis | Not Available |
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Organoleptic Properties |
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Flavours | Not Available |
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Files |
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MSDS | Not Available |
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References |
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Synthesis Reference | Not Available |
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General Reference | Not Available |
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Content Reference | — Duke, James. 'Dr. Duke's Phytochemical and Ethnobotanical Databases. United States Department of Agriculture.' Agricultural Research Service, Accessed April 27 (2004).
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