Chemical Components in the PDB

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5CT : Summary

Code

5CT

One-letter code

K

Molecule name

Hypusine

Synonyms

N~6~-[(2S)-4-amino-2-hydroxybutyl]-L-lysine

Systematic names

ProgramVersionName
ACDLabs 12.01 N~6~-[(2S)-4-amino-2-hydroxybutyl]-L-lysine
OpenEye OEToolkits 2.0.4 (2~{S})-2-azanyl-6-[[(2~{S})-4-azanyl-2-oxidanyl-butyl]amino]hexanoic acid

Formula

C10 H23 N3 O3

Formal charge

0

Molecular weight

233.308 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 C(CCNCC(O)CCN)CC(C(=O)O)N
SMILES CACTVS 3.385 NCC[CH](O)CNCCCC[CH](N)C(O)=O
SMILES OpenEye OEToolkits 2.0.4 C(CCNCC(CCN)O)CC(C(=O)O)N
Canonical SMILES CACTVS 3.385 NCC[C@H](O)CNCCCC[C@H](N)C(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.4 C(CCNC[C@H](CCN)O)C[C@@H](C(=O)O)N

IUPAC InChI

InChI=1S/C10H23N3O3/c11-5-4-8(14)7-13-6-2-1-3-9(12)10(15)16/h8-9,13-14H,1-7,11-12H2,(H,15,16)/t8-,9-/m0/s1

IUPAC InChI key

BZUIJMCJNWUGKQ-IUCAKERBSA-N
5CT

wwPDB Information

Atom count

39 (16 without Hydrogen)

Polymer type

Amino Acid

Type description

peptide linking

Type code

ATOMP

Is modified

Yes

Standard parent

LYS

Defined at

2015-09-07

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned