Chemical Components in the PDB

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ASN : Summary

Code

ASN

One-letter code

N

Molecule name

ASPARAGINE

Systematic names

ProgramVersionName
ACDLabs 12.01 L-asparagine
OpenEye OEToolkits 1.7.2 (2S)-2,4-bis(azanyl)-4-oxidanylidene-butanoic acid

Formula

C4 H8 N2 O3

Formal charge

0

Molecular weight

132.118 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(N)CC(N)C(=O)O
SMILES CACTVS 3.370 N[CH](CC(N)=O)C(O)=O
SMILES OpenEye OEToolkits 1.7.2 C(C(C(=O)O)N)C(=O)N
Canonical SMILES CACTVS 3.370 N[C@@H](CC(N)=O)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.2 C([C@@H](C(=O)O)N)C(=O)N

IUPAC InChI

InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1

IUPAC InChI key

DCXYFEDJOCDNAF-REOHCLBHSA-N

Is part of

0PX , 9MQ , 9MX , AYI , FYI , FYQ , ROC , YEN , 0DY , AYQ
ASN

wwPDB Information

Atom count

17 (9 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2014-11-11

Status

Released

Obsoleted

Not Assigned