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<node id="n0" labels=":Metabolite:OriginalMetabolite"><data key="labels">:Metabolite:OriginalMetabolite</data><data key="CHEMBL_ID">CHEMBL326602</data><data key="BiGG_ID">appl</data><data key="EnviPath_ID">650babc9-9d68-4b73-9332-11972ca26f7b/compound/d0a37a0c-a6b5-45b9-b8cd-3d633776e4a3</data><data key="Bacterial_Source">Specific-pathogen-free mouse faeces</data><data key="Identification_Method">3. Reduced in germ-free animals</data><data key="MicobialMetabolite_ID">264</data><data key="Organism">Colonized germ-free mice</data><data key="Water_Solubility">1.00E+06 mg/L @ 25 °C (exp)</data><data key="WikiPedia_Article">1-Amino-2-propanol</data><data key="Boiling_Point">160.00 to  161.00 °C. @  760.00 mm Hg</data><data key="KEGG_ID">C05771</data><data key="logP">-0.960</data><data key="Melting_Point">24.00 to   26.00 °C. @  760.00 mm Hg</data><data key="MetaNetX_ID">MNXM1107675</data><data key="Average_Mass">75.06841</data><data key="Function">pair of enantiomers</data><data key="VMH_ID">APPL</data><data key="Level">Single</data><data key="WikiData_ID">Q161580</data><data key="Exposome_Explorer_ID">Component_2324</data><data key="Alternative_Names">Isopropanolamine, 1-Amino-2-hydroxypropane</data><data key="Displayed_Nb_of_proofs">1</data><data key="Rotatable_Bond_Count">1</data><data key="Acceptor_Count">2</data><data key="Formal_Charge">0</data><data key="Verber_Rule">No</data><data key="logS">1.00</data><data key="MDDR_Like_Rule">No</data><data key="Ghose_Filter">No</data><data key="Refractivity">20.63</data><data key="pKa_Strongest_Basic">9.6</data><data key="Number_of_Rings">0</data><data key="Physiological_Charge">1</data><data key="Polarizability">8.45</data><data key="Donor_Count">2</data><data key="Polar_Surface_Area">46.25</data><data key="Ro5">Yes</data><data key="pKa_Strongest_Acidic">15.3</data><data key="Secondary_HMDB_IDs">HMDB12136,</data><data key="Description">Belongs to the class of organic compounds known as 1,2-aminoalcohols. These are organic compounds containing an alkyl chain with an amine group bound to the C1 atom and an alcohol group bound to the C2 atom.</data><data key="Bioavailability">Yes</data><data key="State">Solid</data><data key="PubChem_ID">4</data><data key="Synonyms">Threamine,mono-iso-Propanolamine,Mipa,Aminopropanol,1-Aminopropan-2-ol,1-amino-2-Hydroxypropanamine,Α-aminoisopropyl alcohol,a-Aminoisopropyl alcohol,1-Amino-2-propanol,Monoisopropanolamine,Isopropanolamine,alpha-Aminoisopropyl alcohol,2-Hydroxypropylamine,1-Methyl-2-aminoethanol,</data><data key="SMILES">CC(O)CN</data><data key="InChIKey">InChIKey=HXKKHQJGJAFBHI-UHFFFAOYSA-N</data><data key="ChemSpider_ID">3</data><data key="IUPAC">1-aminopropan-2-ol</data><data key="InChI">InChI=1S/C3H9NO/c1-3(5)2-4/h3,5H,2,4H2,1H3</data><data key="Monisotopic_Molecular_Weight">75.068413915</data><data key="CAS_Number">78-96-6</data><data key="Formula">C3H9NO</data><data key="Average_Molecular_Weight">75.1097</data><data key="Status">quantified</data><data key="HMDB_ID">["HMDB0012136","HMDB12136"]</data><data key="Reasons_To_Import">["ChEBI_ID","Name"]</data><data key="ChEBI_ID">["19030","610"]</data><data key="Name">["1-Amino-propan-2-ol","1-Amino-2-propanol","1-aminopropan-2-ol"]</data></node>
<node id="n3" labels=":Measurement"><data key="labels">:Measurement</data><data key="Comments">Saliva samples were collected at 16:00 (n=27)</data><data key="Normal">True</data><data key="Value">0.324 +/- 0.413</data></node>
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<node id="n6" labels=":Publication"><data key="labels">:Publication</data><data key="Pages">Sugimoto et al</data><data key="Title">Sugimoto et al</data><data key="Publication">(2013) Physiological and environmental parameters associated with mass spectrometry-based salivary metabolomic profiles</data><data key="Date"></data><data key="Issue">2013</data><data key="Authors">Sugimoto et al. (2013) Physiological and environmental parameters associated with mass spectrometry-based salivary metabolomic profiles.</data></node>
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<node id="n17" labels=":Publication"><data key="labels">:Publication</data><data key="Authors">Peru KM, Headley JV, Doucette WJ</data><data key="Pages">1629-34</data><data key="PubMed_ID">15282789</data><data key="Issue">Typha latifolia</data><data key="Notes"></data><data key="Date"> 2004</data><data key="Volume">18</data><data key="Title">Determination of alkanolamines in cattails (Typha latifolia) utilizing electrospray ionization with selected reaction monitoring and ion-exchange chromatography</data><data key="Publication">Rapid Commun Mass Spectrom</data></node>
<node id="n18" labels=":Publication"><data key="labels">:Publication</data><data key="Authors">Hervin RL, Lucas JB</data><data key="Title">Occupational health case report</data><data key="PubMed_ID">4274990</data><data key="Date"> 8</data><data key="Volume">16</data><data key="Issue">5</data><data key="Pages">355-7</data><data key="Publication">No</data><data key="Notes"> Monoisopropanolamine</data></node>
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