CHEBI:16109 - propane-1,3-diol

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ChEBI Name propane-1,3-diol
ChEBI ID CHEBI:16109
Definition The simplest member of the class of propane-1,3-diols, consisting of propane in which one hydrogen from each methyl group is substituted by a hydroxy group. A colourless, viscous, water-miscible liquid with a high (210°C) boiling point, it is used in the synthesis of certain polymers and as a solvent and antifreeze.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:8471, CHEBI:44868, CHEBI:14902, CHEBI:26286
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Formula C3H8O2
Net Charge 0
Average Mass 76.09442
Monoisotopic Mass 76.052
InChI InChI=1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2
InChIKey YPFDHNVEDLHUCE-UHFFFAOYSA-N
SMILES OCCCO
Roles Classification
Chemical Role(s): protic solvent
A polar solvent that is capable of acting as a hydron (proton) donor.
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application(s): protic solvent
A polar solvent that is capable of acting as a hydron (proton) donor.
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ChEBI Ontology
Outgoing propane-1,3-diol (CHEBI:16109) has role metabolite (CHEBI:25212)
propane-1,3-diol (CHEBI:16109) has role protic solvent (CHEBI:48356)
propane-1,3-diol (CHEBI:16109) is a propane-1,3-diols (CHEBI:26287)
Incoming 1,3-diacetoxypropane (CHEBI:87360) has functional parent propane-1,3-diol (CHEBI:16109)
propamidine (CHEBI:87462) has functional parent propane-1,3-diol (CHEBI:16109)
3-hydroxypropoxy group (CHEBI:43141) is substituent group from propane-1,3-diol (CHEBI:16109)
IUPAC Name
propane-1,3-diol
Synonyms Sources
(HOCH2)2CH2 ChEBI
1,3-dihydroxypropane ChemIDplus
1,3-PROPANDIOL PDBeChem
1,3-Propanediol KEGG COMPOUND
1,3-propylene glycol ChemIDplus
1,3-propylenediol ChemIDplus
2-(hydroxymethyl)ethanol ChemIDplus
2-deoxyglycerol ChemIDplus
β-propylene glycol NIST Chemistry WebBook
CH2(CH2OH)2 ChEBI
HO(CH2)3OH ChEBI
HOCH2CH2CH2OH ChEBI
ω-propanediol NIST Chemistry WebBook
Propane-1,3-diol KEGG COMPOUND
propane-1,3-diol UniProt
Trimethylene glycol KEGG COMPOUND
Database Links Databases
1,3-Propanediol Wikipedia
C02457 KEGG COMPOUND
CPD-347 MetaCyc
DB02774 DrugBank
PDO PDBeChem
View more database links
Registry Numbers Types Sources
504-63-2 CAS Registry Number ChemIDplus
504-63-2 CAS Registry Number NIST Chemistry WebBook
969155 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
10531640 PubMed citation Europe PMC
16020043 PubMed citation Europe PMC
17439666 PubMed citation Europe PMC
Last Modified
13 August 2015