CHEBI:68109 - penipanoid A

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ChEBI Name penipanoid A ChEBI ID CHEBI:68109 Definition A member of the class of benzoic acids that is benzoic acid substituted by a 1H-1,2,4-triazol-1-yl group at position 2 which in turn is substituted by a 4-hydroxybenzyl group at position 5. It has been isolated from Penicillium paneum. Stars This entity has been manually annotated by the ChEBI Team. 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 C16H13N3O3 Net Charge 0 Average Mass 295.29270 Monoisotopic Mass 295.09569 InChI InChI=1S/C16H13N3O3/c20-12-7-5-11(6-8-12)9-15-17-10-18-19(15)14-4-2-1-3-13(14)16(21)22/h1-8,10,20H,9H2,(H,21,22) InChIKey OLKCKDFOTMJWNW-UHFFFAOYSA-N SMILES OC(=O)c1ccccc1-n1ncnc1Cc1ccc(O)cc1 Metabolite of Species Details Penicillium paneum (NCBI:txid68879) Ethylacetate extract of fermented rice substrate of strain SD 44 See: PubMed Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) Biological Role(s): Penicillium metabolite Any fungal metabolite produced during a metabolic reaction in Penicillium. View more via ChEBI Ontology ChEBI Ontology Outgoing penipanoid A (CHEBI:68109) has role Penicillium metabolite (CHEBI:76964) penipanoid A (CHEBI:68109) is a benzoic acids (CHEBI:22723) penipanoid A (CHEBI:68109) is a phenols (CHEBI:33853) penipanoid A (CHEBI:68109) is a triazoles (CHEBI:35727) IUPAC Name 2-[5-(4-hydroxybenzyl)-1H-1,2,4-triazol-1-yl]benzoic acid Registry Number Type Source 21548732 Reaxys Registry Number Reaxys Citation Type Source 21495659 PubMed citation Europe PMC Last Modified 13 January 2014