CHEBI:149638 - 5-methoxy-D-tryptophan zwitterion

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ChEBI Name 5-methoxy-D-tryptophan zwitterion
ChEBI ID CHEBI:149638
ChEBI ASCII Name 5-methoxy-D-tryptophan zwitterion
Definition A zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of 5-methoxy-D-tryptophan; major species at pH 7.3.
Stars This entity has been manually annotated by a third party.
Submitter Anne Morgat
Supplier Information ChemicalBook:CB5160451, ZINC000000056407
Download Molfile XML SDF
Formula C12H14N2O3
Net Charge 0
Average Mass 234.255
Monoisotopic Mass 234.10044
InChI InChI=1S/C12H14N2O3/c1-17-8-2-3-11-9(5-8)7(6-14-11)4-10(13)12(15)16/h2-3,5-6,10,14H,4,13H2,1H3,(H,15,16)/t10-/m1/s1
InChIKey KVNPSKDDJARYKK-SNVBAGLBSA-N
SMILES O(C)C1=CC2=C(NC=C2C[C@@H]([NH3+])C(=O)[O-])C=C1
ChEBI Ontology
Outgoing 5-methoxy-D-tryptophan zwitterion (CHEBI:149638) is a D-α-amino acid zwitterion (CHEBI:59871)
Synonym Source
5-methoxy-D-tryptophan UniProt
Citation
Hai Y, Jenner M, Tang Y (2019)
Complete Stereoinversion of l-Tryptophan by a Fungal Single-Module Nonribosomal Peptide Synthetase.
Journal of the American Chemical Society 141, 16222-16226 (Source: SUBMITTER) [PubMed:31573806]
[show Abstract]