Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

TYW : Summary

Code

TYW

One-letter code

Y

Molecule name

(2S)-2-amino-3-(4-hydroxyphenyl)propane-1,1-diol

Systematic names

ProgramVersionName
ACDLabs 12.01 (2S)-2-amino-3-(4-hydroxyphenyl)propane-1,1-diol
OpenEye OEToolkits 1.7.2 (2S)-2-azanyl-3-(4-hydroxyphenyl)propane-1,1-diol

Formula

C9 H13 N O3

Formal charge

0

Molecular weight

183.204 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 Oc1ccc(cc1)CC(N)C(O)O
SMILES CACTVS 3.370 N[CH](Cc1ccc(O)cc1)C(O)O
SMILES OpenEye OEToolkits 1.7.2 c1cc(ccc1CC(C(O)O)N)O
Canonical SMILES CACTVS 3.370 N[C@@H](Cc1ccc(O)cc1)C(O)O
Canonical SMILES OpenEye OEToolkits 1.7.2 c1cc(ccc1C[C@@H](C(O)O)N)O

IUPAC InChI

InChI=1S/C9H13NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8-9,11-13H,5,10H2/t8-/m0/s1

IUPAC InChI key

APPGMLFFWAMCJO-QMMMGPOBSA-N
TYW

wwPDB Information

Atom count

26 (13 without Hydrogen)

Polymer type

Bound ligand

Type description

peptide-like

Type code

HETAIN

Is modified

Yes

Standard parent

TYR

Defined at

2011-09-27

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned