CHEBI:189437 - Gentisic acid sodium

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ChEBI Name Gentisic acid sodium
ChEBI ID CHEBI:189437
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C7H5O4.Na
Net Charge 0
Average Mass 176.103
Monoisotopic Mass 176.00855
InChI InChI=1S/C7H6O4.Na/c8-4-1-2-6(9)5(3-4)7(10)11;/h1-3,8-9H,(H,10,11);/q;+1/p-1
InChIKey MOIJZWWOFOQFMH-UHFFFAOYSA-M
SMILES [Na+].OC1=C(C=C(O)C=C1)C([O-])=O
Metabolite of Species Details
Arabidopsis thaliana (NCBI:txid3702) Found in guard cell (BTO:0000544). See: MetaboLights Study
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing Gentisic acid sodium (CHEBI:189437) has functional parent salicylic acid (CHEBI:16914)
Gentisic acid sodium (CHEBI:189437) is a hydroxybenzoic acid (CHEBI:24676)
IUPAC Name
sodium;2,5-dihydroxybenzoate
Manual Xref Database
19810 ChemSpider
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Registry Number Type Source
4955-90-2 CAS Registry Number ChemIDplus