bmse000629 L-4-hydroxyphenylglycine at BMRB

L-4-hydroxyphenylglycine

Oxfenicine; (2S)-amino(4-hydroxyphenyl)acetic acid; (2S)-amino(4-hydroxyphenyl)ethanoic acid; L-4-hydroxyphenylglycine; Oxfenicine (USAN/INN); 4-Hydroxy-L-phenylglycine

Molecular Formula: C8 H9 N O3
Natural Isotopic Abundance Mass: 167.16196
Mono-Isotopic Molecular Masses: C12N14: 167.0582431604; C13N14: 175.0850818628; C12N15: 168.0552780536; C13N15: 176.082116756

L-4-hydroxyphenylglycine

InCHi String:
InChI=1S/C8H9NO3/c9-7(8(11)12)5-1-3-6(10)4-2-5/h1-4,7,10H,9H2,(H,11,12)/t7-/m0/s1

canonical SMILES:
C1=CC(=CC=C1C(C(=O)O)N)O
isomeric SMILES:
C1=CC(=CC=C1[C@@H](C(=O)O)N)O

PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME
(2S)-2-amino-2-(4-hydroxyphenyl)acetic acid

PUBCHEM iupac SYSTEMATIC NAME
(2S)-2-azanyl-2-(4-hydroxyphenyl)ethanoic acid

PubChem Substance (SID):   111677771   24879955   47206995
PubChem Compound (CID):   36143
KEGG: Compound ID   D05292
CAS Registry IDs:   32462-30-9
PDB Chemical Component   D4P
Miscellaneous Databases and IDs:   Sigma-Aldrich 56160_FLUKA   ChEBI CHEBI:31755   MMCD cq_08863   MDL MFCD00065932

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.