Chemical Components in the PDB

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HLU : Summary

Code

HLU

One-letter code

L

Molecule name

BETA-HYDROXYLEUCINE

Systematic names

ProgramVersionName
ACDLabs 10.04 (2S,3S)-2-amino-3-hydroxy-4-methylpentanoic acid (non-preferred name)
OpenEye OEToolkits 1.5.0 (2S,3S)-2-amino-3-hydroxy-4-methyl-pentanoic acid

Formula

C6 H13 N O3

Formal charge

0

Molecular weight

147.172 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)C(N)C(O)C(C)C
SMILES CACTVS 3.341 CC(C)[CH](O)[CH](N)C(O)=O
SMILES OpenEye OEToolkits 1.5.0 CC(C)C(C(C(=O)O)N)O
Canonical SMILES CACTVS 3.341 CC(C)[C@H](O)[C@H](N)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 CC(C)[C@@H]([C@@H](C(=O)O)N)O

IUPAC InChI

InChI=1S/C6H13NO3/c1-3(2)5(8)4(7)6(9)10/h3-5,8H,7H2,1-2H3,(H,9,10)/t4-,5-/m0/s1

IUPAC InChI key

ZAYJDMWJYCTABM-WHFBIAKZSA-N
HLU

wwPDB Information

Atom count

23 (10 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

LEU

Defined at

2004-02-02

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned