CHEBI:89552 - Sinapinic acid-O-sulphate

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name Sinapinic acid-O-sulphate ChEBI ID CHEBI:89552 Stars This entity has been manually annotated by a third party. 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 C11H12O8S Net Charge 0 Average Mass 304.275 Monoisotopic Mass 304.02529 InChI InChI=1S/C11H12O8S/c1-17-8-5-7(6-9(18-2)11(8)13)3-4-10(12)19-20(14,15)16/h3-6,13H,1-2H3,(H,14,15,16)/b4-3+ InChIKey LAHUBJBDDCZJTK-ONEGZZNKSA-N SMILES COC1=CC(/C=C/C(OS(=O)(=O)O)=O)=CC(OC)=C1O Metabolite of Species Details Homo sapiens (NCBI:txid9606) Found in urine (BTO:0001419). See: PubMed Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) View more via ChEBI Ontology ChEBI Ontology Outgoing Sinapinic acid-O-sulphate (CHEBI:89552) is a hydroxycinnamic acid (CHEBI:24689) Synonym Source sulfo (2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate HMDB Manual Xref Database HMDB0060020 HMDB View more database links Citation Type Source 22827565 PubMed citation Europe PMC