Chemical Components in the PDB

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5GG : Summary

Code

5GG

One-letter code

K

Molecule name

Deoxyhypusine

Systematic names

ProgramVersionName
ACDLabs 12.01 N~6~-(4-aminobutyl)-L-lysine
OpenEye OEToolkits 1.9.2 (2S)-2-azanyl-6-(4-azanylbutylamino)hexanoic acid

Formula

C10 H23 N3 O2

Formal charge

0

Molecular weight

217.309 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 NC(C(=O)O)CCCCNCCCCN
SMILES CACTVS 3.385 NCCCCNCCCC[CH](N)C(O)=O
SMILES OpenEye OEToolkits 1.9.2 C(CCNCCCCN)CC(C(=O)O)N
Canonical SMILES CACTVS 3.385 NCCCCNCCCC[C@H](N)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.9.2 C(CCNCCCCN)C[C@@H](C(=O)O)N

IUPAC InChI

InChI=1S/C10H23N3O2/c11-6-2-4-8-13-7-3-1-5-9(12)10(14)15/h9,13H,1-8,11-12H2,(H,14,15)/t9-/m0/s1

IUPAC InChI key

PGPFBXMCOQNMJO-VIFPVBQESA-N
5GG

wwPDB Information

Atom count

38 (15 without Hydrogen)

Polymer type

Amino Acid

Type description

L-peptide linking

Type code

ATOMP

Is modified

Yes

Standard parent

Lys

Defined at

2015-09-23

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned