CHEBI:62211 - 3-butynoate

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ChEBI Name 3-butynoate
ChEBI ID CHEBI:62211
Definition A monocarboxylic acid anion that is the conjugate base of 3-butynoic acid; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Anne Morgat
Supplier Information
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Formula C4H3O2
Net Charge -1
Average Mass 83.06540
Monoisotopic Mass 83.01385
InChI InChI=1S/C4H4O2/c1-2-3-4(5)6/h1H,3H2,(H,5,6)/p-1
InChIKey KKAHGSQLSTUDAV-UHFFFAOYSA-M
SMILES [O-]C(=O)CC#C
ChEBI Ontology
Outgoing 3-butynoate (CHEBI:62211) is a monocarboxylic acid anion (CHEBI:35757)
3-butynoate (CHEBI:62211) is conjugate base of 3-butynoic acid (CHEBI:1461)
Incoming 3-butynoic acid (CHEBI:1461) is conjugate acid of 3-butynoate (CHEBI:62211)
IUPAC Name
but-3-ynoate
Synonym Source
3-butynoate UniProt
Manual Xref Database
C06144 KEGG COMPOUND
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Last Modified
26 May 2011
Submitter Remark
2011-05-26 09:37:59.0 Anne Morgat Would you add the relation is_conjugate_base_of CHEBI:1461 - I can't select this compound (I guess it is because it is only 1*) - I requested an update of CHEBI:1461 in sourceforge
2011-05-26 09:36:36.0 Anne Morgat Please,