CHEBI:27444 - but-3-yn-1-ol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name but-3-yn-1-ol
ChEBI ID CHEBI:27444
Definition A terminal acetylenic compound that is but-1-yne with one of the methyl hydrogens substituted by a hydroxy group.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:1460, CHEBI:19969
Supplier Information
Download Molfile XML SDF
Formula C4H6O
Net Charge 0
Average Mass 70.08980
Monoisotopic Mass 70.04186
InChI InChI=1S/C4H6O/c1-2-3-4-5/h1,5H,3-4H2
InChIKey OTJZCIYGRUNXTP-UHFFFAOYSA-N
SMILES OCCC#C
ChEBI Ontology
Outgoing but-3-yn-1-ol (CHEBI:27444) is a butyn-1-ols (CHEBI:22967)
but-3-yn-1-ol (CHEBI:27444) is a terminal acetylenic compound (CHEBI:73477)
Incoming α-D-Galp-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAcO[CH2]2C≡CH (CHEBI:131457) has functional parent but-3-yn-1-ol (CHEBI:27444)
but-3-yn-1-yl β-D-glucoside (CHEBI:131455) has functional parent but-3-yn-1-ol (CHEBI:27444)
IUPAC Name
but-3-yn-1-ol
Synonyms Sources
1-butyn-4-ol NIST Chemistry WebBook
3-Butyn-1-ol KEGG COMPOUND
3-butynol NIST Chemistry WebBook
3-butynyl alcohol NIST Chemistry WebBook
4-hydroxy-1-butyne NIST Chemistry WebBook
4-hydroxy-but-1-yne ChEBI
but-3-yn-1-ol UniProt
ethynylmethyl carbinol ChEBI
homopropargyl alcohol ChEBI
Manual Xrefs Databases
C06146 KEGG COMPOUND
CH680439 Patent
View more database links
Registry Numbers Types Sources
773710 Reaxys Registry Number Reaxys
927-74-2 CAS Registry Number ChemIDplus
927-74-2 CAS Registry Number NIST Chemistry WebBook
Citation Waiting for Citations Type Source
17434192 PubMed citation Europe PMC
Last Modified
07 March 2016