Chemical Components in the PDB

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0AF : Summary

Code

0AF

One-letter code

W

Molecule name

7-hydroxy-L-tryptophan

Systematic names

ProgramVersionName
ACDLabs 10.04 7-hydroxy-L-tryptophan
OpenEye OEToolkits 1.5.0 (2S)-2-amino-3-(7-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)Cc2c1cccc(O)c1nc2
SMILES CACTVS 3.341 N[CH](Cc1c[nH]c2c(O)cccc12)C(O)=O
SMILES OpenEye OEToolkits 1.5.0 c1cc2c(c[nH]c2c(c1)O)CC(C(=O)O)N
Canonical SMILES CACTVS 3.341 N[C@@H](Cc1c[nH]c2c(O)cccc12)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 c1cc2c(c[nH]c2c(c1)O)C[C@@H](C(=O)O)N

IUPAC InChI

InChI=1S/C11H12N2O3/c12-8(11(15)16)4-6-5-13-10-7(6)2-1-3-9(10)14/h1-3,5,8,13-14H,4,12H2,(H,15,16)/t8-/m0/s1

IUPAC InChI key

VQSRKJZICBNQJG-QMMMGPOBSA-N
0AF

wwPDB Information

Atom count

28 (16 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

TRP

Defined at

2007-11-11

Last modified at

2013-06-26

Status

Released

Obsoleted

Not Assigned