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CHEBI:225845 - Salfredin A4

ChEBI IDCHEBI:225845
ChEBI NameSalfredin A4
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SubmitterMetaboLights
DownloadsMolfile
FormulaC15H15NO7
Net Charge0
Average Mass321.285
Monoisotopic Mass321.08485
SMILESC[C@@H](C(=O)O)[C@@H]1Cc2c(cc3c(c2O)CN(CC(=O)O)C3=O)O1
InChIInChI=1S/C15H15NO7/c1-6(15(21)22)10-3-8-11(23-10)2-7-9(13(8)19)4-16(14(7)20)5-12(17)18/h2,6,10,19H,3-5H2,1H3,(H,17,18)(H,21,22)/t6-,10+/m1/s1
InChIKeyBJKOERVLRQSJPG-LDWIPMOCSA-N
Species of MetaboliteComponentSourceComments
Crucibulum (ncbitaxon:68774) - PubMed (7622427)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Salfredin A4 (CHEBI:225845) is a indolyl carboxylic acid (CHEBI:46867)
IUPAC Name 
(2R)-2-[(2S)-6-(carboxymethyl)-4-hydroxy-7-oxo-3,5-dihydro-2H-uro[2,3-]isoindol-2-yl]propanoic acid
Manual XrefsDatabases
8646701ChemSpider