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CHEBI:7031 - Musca-aurin-I

ChEBI IDCHEBI:7031
ChEBI NameMusca-aurin-I
Stars
Last Modified26 March 2015
DownloadsMolfile
FormulaC14H13N3O8
Net Charge0
Average Mass351.271
Monoisotopic Mass351.07026
SMILESO=C(O)C1=C/C(=C/C=N\[C@H](C(=O)O)c2cc(O)no2)C[C@@H](C(=O)O)N1
InChIInChI=1S/C14H13N3O8/c18-10-5-9(25-17-10)11(14(23)24)15-2-1-6-3-7(12(19)20)16-8(4-6)13(21)22/h1-3,5,8,11,16H,4H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24)/b6-1-,15-2-/t8-,11-/m0/s1
InChIKeyAVQHQGYBRFPNMT-JOPLDPTKSA-N
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Musca-aurin-I (CHEBI:7031) is a non-proteinogenic α-amino acid (CHEBI:83925)
Synonym  Source
Musca-aurin-IKEGG COMPOUND
Manual XrefsDatabases
C08559KEGG COMPOUND
C00001599KNApSAcK
Registry NumbersSources
CAS:52012-51-8KEGG COMPOUND