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CHEBI:19923 - β-(Nπ-L-histidino)-L-tyrosine

ChEBI IDCHEBI:19923
ChEBI Nameβ-(Nπ-L-histidino)-L-tyrosine
Stars
ASCII Namebeta-(N(pros)-L-histidino)-L-tyrosine
DefinitionAn L-tyrosine in which one of the β-hydrogens in L-tyrosine is replaced by a L-histidino group joined via the Nπ-position.
Last Modified17 December 2014
DownloadsMolfile
FormulaC15H18N4O5
Net Charge0
Average Mass334.332
Monoisotopic Mass334.12772
SMILESN[C@H](C(=O)O)[C@@H](c1ccc(O)cc1)n1cncc1C[C@H](N)C(=O)O
InChIInChI=1S/C15H18N4O5/c16-11(14(21)22)5-9-6-18-7-19(9)13(12(17)15(23)24)8-1-3-10(20)4-2-8/h1-4,6-7,11-13,20H,5,16-17H2,(H,21,22)(H,23,24)/t11-,12-,13+/m0/s1
InChIKeyATOXYGBPFCBKCE-RWMBFGLXSA-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)
β-(Nπ-L-histidino)-L-tyrosine (CHEBI:19923) is a L-tyrosine derivative (CHEBI:27177)
β-(Nπ-L-histidino)-L-tyrosine (CHEBI:19923) is a non-proteinogenic L-α-amino acid (CHEBI:83822)
IUPAC Name 
3-{5-[(2S)-2-amino-2-carboxyethyl]-2-hydroxyphenyl}-L-histidine