Chemical Components in the PDB

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LHC : Summary

Code

LHC

One-letter code

X

Molecule name

(2S)-2-amino-4-(4-amino-2-oxopyrimidin-1(2H)-yl)butanoic acid

Systematic names

ProgramVersionName
ACDLabs 10.04 (2S)-2-amino-4-(4-amino-2-oxopyrimidin-1(2H)-yl)butanoic acid
OpenEye OEToolkits 1.5.0 (2S)-2-amino-4-(4-amino-2-oxo-pyrimidin-1-yl)butanoic acid

Formula

C8 H12 N4 O3

Formal charge

0

Molecular weight

212.206 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C1N=C(C=CN1CCC(C(=O)O)N)N
SMILES CACTVS 3.341 N[CH](CCN1C=CC(=NC1=O)N)C(O)=O
SMILES OpenEye OEToolkits 1.5.0 C1=CN(C(=O)N=C1N)CCC(C(=O)O)N
Canonical SMILES CACTVS 3.341 N[C@@H](CCN1C=CC(=NC1=O)N)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 C1=CN(C(=O)N=C1N)CC[C@@H](C(=O)O)N

IUPAC InChI

InChI=1S/C8H12N4O3/c9-5(7(13)14)1-3-12-4-2-6(10)11-8(12)15/h2,4-5H,1,3,9H2,(H,13,14)(H2,10,11,15)/t5-/m0/s1

IUPAC InChI key

FKWFMIJKLRYFAG-YFKPBYRVSA-N
LHC

wwPDB Information

Atom count

27 (15 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

UNK

Defined at

2008-02-12

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned