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CHEBI:190081 - Penicilloic acid V

ChEBI IDCHEBI:190081
ChEBI NamePenicilloic acid V
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H20N2O6S
Net Charge0
Average Mass368.411
Monoisotopic Mass368.10421
SMILESCC1(C)SC(C(NC(=O)COc2ccccc2)C(=O)O)NC1C(=O)O
InChIInChI=1S/C16H20N2O6S/c1-16(2)12(15(22)23)18-13(25-16)11(14(20)21)17-10(19)8-24-9-6-4-3-5-7-9/h3-7,11-13,18H,8H2,1-2H3,(H,17,19)(H,20,21)(H,22,23)
InChIKeyFJTUHYOOCYRLJI-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Brassica napus (ncbitaxon:3708) flower (BTO:0000469) MetaboLights (MTBLS3950)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Penicilloic acid V (CHEBI:190081) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name 
2-[carboxy-[(2-phenoxyacetyl)amino]methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
Manual XrefsDatabases
87060ChemSpider
Registry NumbersSources
CAS:1049-84-9ChemIDplus