CHEBI:67095 - heptane-1,2,3-triol

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ChEBI Name heptane-1,2,3-triol ChEBI ID CHEBI:67095 Definition A triol comprising heptane substituted with hydroxy groups at C-1, -2 and -3. Stars This entity has been manually annotated by the ChEBI Team. Submitter Vincent Fazio Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C7H16O3 Net Charge 0 Average Mass 148.20010 Monoisotopic Mass 148.10994 InChI InChI=1S/C7H16O3/c1-2-3-4-6(9)7(10)5-8/h6-10H,2-5H2,1H3 InChIKey HXYCHJFUBNTKQR-UHFFFAOYSA-N SMILES CCCCC(O)C(O)CO ChEBI Ontology Outgoing heptane-1,2,3-triol (CHEBI:67095) has parent hydride heptane (CHEBI:43098) heptane-1,2,3-triol (CHEBI:67095) is a triol (CHEBI:27136) Incoming (2R,3R)-heptane-1,2,3-triol (CHEBI:43208) is a heptane-1,2,3-triol (CHEBI:67095) IUPAC Name heptane-1,2,3-triol Synonyms Sources 1,2,3-Heptanetriol ChemIDplus 1,2,3-Trihydroxyheptane ChemIDplus 1-butylglycerol ChEBI 1-n-butylglycerol ChEBI Registry Numbers Types Sources 103404-57-5 CAS Registry Number ChemIDplus 1737083 Reaxys Registry Number Reaxys Last Modified 14 August 2012