Chemical Components in the PDB

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TRP : Summary

Code

TRP

One-letter code

W

Molecule name

TRYPTOPHAN

Systematic names

ProgramVersionName
ACDLabs 10.04 L-tryptophan
OpenEye OEToolkits 1.5.0 (2S)-2-amino-3-(1H-indol-3-yl)propanoic acid

Formula

C11 H12 N2 O2

Formal charge

0

Molecular weight

204.225 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)C(N)Cc2c1ccccc1nc2
SMILES CACTVS 3.341 N[CH](Cc1c[nH]c2ccccc12)C(O)=O
SMILES OpenEye OEToolkits 1.5.0 c1ccc2c(c1)c(c[nH]2)CC(C(=O)O)N
Canonical SMILES CACTVS 3.341 N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N

IUPAC InChI

InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1

IUPAC InChI key

QIVBCDIJIAJPQS-VIFPVBQESA-N

Is part of

RDF , 0GR , 0DB , 0ZN , 39V , VB4 , X95
TRP

wwPDB Information

Atom count

27 (15 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned