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CHEBI:29474 - (S)-3,5-dihydroxyphenylglycine

Default Structure
ChEBI IDCHEBI:29474
ChEBI Name(S)-3,5-dihydroxyphenylglycine
Stars
ASCII Name(S)-3,5-dihydroxyphenylglycine
DefinitionA glycine derivative that is L-α-phenylglycine substituted at positions 3 and 5 on the phenyl ring by hydroxy groups.
Last Modified25 November 2019
DownloadsMolfile
FormulaC8H9NO4
Net Charge0
Average Mass183.163
Monoisotopic Mass183.05316
SMILESN[C@H](C(=O)O)c1cc(O)cc(O)c1
InChIInChI=1S/C8H9NO4/c9-7(8(12)13)4-1-5(10)3-6(11)2-4/h1-3,7,10-11H,9H2,(H,12,13)/t7-/m0/s1
InChIKeyHOOWCUZPEFNHDT-ZETCQYMHSA-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)
(S)-3,5-dihydroxyphenylglycine (CHEBI:29474) has functional parent L-α-phenylglycine (CHEBI:439819)
(S)-3,5-dihydroxyphenylglycine (CHEBI:29474) is a non-proteinogenic L-α-amino acid (CHEBI:83822)
(S)-3,5-dihydroxyphenylglycine (CHEBI:29474) is a resorcinols (CHEBI:33572)
(S)-3,5-dihydroxyphenylglycine (CHEBI:29474) is tautomer of (S)-3,5-dihydroxyphenylglycine zwitterion (CHEBI:75204)
Incoming Relation(s)
(S)-3,5-dihydroxyphenylglycine zwitterion (CHEBI:75204) is tautomer of (S)-3,5-dihydroxyphenylglycine (CHEBI:29474)
IUPAC Name 
(2S)-amino(3,5-dihydroxyphenyl)acetic acid
Synonym  Source
L-3,5-DihydroxyphenylglycineKEGG COMPOUND
Manual XrefsDatabases
3FGPDBeChem
C12026KEGG COMPOUND
DB04228DrugBank
Registry NumbersSources
Reaxys:8411397Reaxys
CAS:146255-66-5KEGG COMPOUND