Chemical Components in the PDB

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TTQ : Summary

Code

TTQ

One-letter code

W

Molecule name

6-AMINO-7-HYDROXY-L-TRYPTOPHAN

Systematic names

ProgramVersionName
ACDLabs 10.04 6-amino-7-hydroxy-L-tryptophan
OpenEye OEToolkits 1.5.0 (2S)-2-amino-3-(6-amino-7-hydroxy-1H-indol-3-yl)propanoic acid

Formula

C11 H13 N3 O3

Formal charge

0

Molecular weight

235.239 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)C(N)Cc2c1ccc(c(O)c1nc2)N
SMILES CACTVS 3.341 N[CH](Cc1c[nH]c2c(O)c(N)ccc12)C(O)=O
SMILES OpenEye OEToolkits 1.5.0 c1cc(c(c2c1c(c[nH]2)CC(C(=O)O)N)O)N
Canonical SMILES CACTVS 3.341 N[C@@H](Cc1c[nH]c2c(O)c(N)ccc12)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 c1cc(c(c2c1c(c[nH]2)C[C@@H](C(=O)O)N)O)N

IUPAC InChI

InChI=1S/C11H13N3O3/c12-7-2-1-6-5(3-8(13)11(16)17)4-14-9(6)10(7)15/h1-2,4,8,14-15H,3,12-13H2,(H,16,17)/t8-/m0/s1

IUPAC InChI key

AGPIOLMMNWQUSU-QMMMGPOBSA-N
TTQ

wwPDB Information

Atom count

30 (17 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

TRP

Defined at

2006-08-21

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned