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CHEBI:58983 - 3-[(4-trimethylammoniophenyl)diazenyl]-AcTyrGlyGly

ChEBI IDCHEBI:58983
ChEBI Name3-[(4-trimethylammoniophenyl)diazenyl]-AcTyrGlyGly
Stars
DefinitionA tripeptide consisting of AcTyrGlyGly with a (4-trimethylammoniophenyl)diazenyl group at the 3-position on the tyrosine phenyl ring.
Last Modified21 April 2010
Submitterzjosephs
DownloadsMolfile
FormulaC24H31N6O6
Net Charge+1
Average Mass499.548
Monoisotopic Mass499.22996
SMILESCC(=O)N[C@@H](Cc1ccc(O)c(/N=N/c2ccc([N+](C)(C)C)cc2)c1)C(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C24H30N6O6/c1-15(31)27-20(24(36)26-13-22(33)25-14-23(34)35)12-16-5-10-21(32)19(11-16)29-28-17-6-8-18(9-7-17)30(2,3)4/h5-11,20H,12-14H2,1-4H3,(H4-,25,26,27,28,31,32,33,34,35,36)/p+1/t20-/m0/s1
InChIKeyLSXOJNHPYUBBIS-FQEVSTJZSA-O
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
3-[(4-trimethylammoniophenyl)diazenyl]-AcTyrGlyGly (CHEBI:58983) is a monoazo compound (CHEBI:48959)
3-[(4-trimethylammoniophenyl)diazenyl]-AcTyrGlyGly (CHEBI:58983) is a tripeptide (CHEBI:47923)
IUPAC Name 
N-acetyl-3-{(E)-[4-(trimethylammonio)phenyl]diazenyl}-L-tyrosylglycylglycine
Synonym  Source
3-(p-trimethylaminophenylazo)-N-acetyl-L-tyrosylglycylglycineChEBI
Citations