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CHEBI:212401 - Penipacid A

ChEBI IDCHEBI:212401
ChEBI NamePenipacid A
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SubmitterMetaboLights
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FormulaC13H18N2O3
Net Charge0
Average Mass250.298
Monoisotopic Mass250.13174
SMILESCC(=NCC(C)(C)O)Nc1ccccc1C(=O)O
InChIInChI=1S/C13H18N2O3/c1-9(14-8-13(2,3)18)15-11-7-5-4-6-10(11)12(16)17/h4-7,18H,8H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyCKZIANKHOZUABY-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (23966037)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Penipacid A (CHEBI:212401) is a benzoic acids (CHEBI:22723)
IUPAC Name 
2-[[N-(2-hydroxy-2-methylpropyl)-C-methylcarbonimidoyl]amino]benzoic acid
Manual XrefsDatabases
30771321ChemSpider