Chemical Components in the PDB

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HRP : Summary

Code

HRP

One-letter code

W

Molecule name

5-HYDROXY-L-TRYPTOPHAN

Systematic names

ProgramVersionName
ACDLabs 10.04 5-hydroxy-D-tryptophan
OpenEye OEToolkits 1.5.0 (2R)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid

Formula

C11 H12 N2 O3

Formal charge

0

Molecular weight

220.225 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)C(N)Cc2c1cc(O)ccc1nc2
SMILES CACTVS 3.341 N[CH](Cc1c[nH]c2ccc(O)cc12)C(O)=O
SMILES OpenEye OEToolkits 1.5.0 c1cc2c(cc1O)c(c[nH]2)CC(C(=O)O)N
Canonical SMILES CACTVS 3.341 N[C@H](Cc1c[nH]c2ccc(O)cc12)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 c1cc2c(cc1O)c(c[nH]2)C[C@H](C(=O)O)N

IUPAC InChI

InChI=1S/C11H12N2O3/c12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10/h1-2,4-5,9,13-14H,3,12H2,(H,15,16)/t9-/m1/s1

IUPAC InChI key

LDCYZAJDBXYCGN-SECBINFHSA-N
HRP

wwPDB Information

Atom count

28 (16 without Hydrogen)

Polymer type

Bound ligand

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

TRP

Defined at

2005-01-14

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned