Chemical Components in the PDB

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LPL : Summary

Code

LPL

One-letter code

X

Molecule name

LEU-HYDROXYETHYLENE-LEU

Systematic names

ProgramVersionName
ACDLabs 10.04 (2R,4S,5S)-5-amino-4-hydroxy-7-methyl-2-(2-methylpropyl)octanoic acid
OpenEye OEToolkits 1.5.0 (2R,4S,5S)-5-amino-4-hydroxy-7-methyl-2-(2-methylpropyl)octanoic acid

Formula

C13 H27 N O3

Formal charge

0

Molecular weight

245.358 Da

SMILES

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

IUPAC InChI

InChI=1S/C13H27NO3/c1-8(2)5-10(13(16)17)7-12(15)11(14)6-9(3)4/h8-12,15H,5-7,14H2,1-4H3,(H,16,17)/t10-,11+,12+/m1/s1

IUPAC InChI key

VQUMYZBNWKMCTB-WOPDTQHZSA-N
LPL

wwPDB Information

Atom count

44 (17 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

HETAIN

Is modified

Yes

Standard parent

UNK

Defined at

1999-07-08

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned