Chemical Components in the PDB

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SD4 : Summary

Code

SD4

One-letter code

N

Molecule name

N-hydroxy-L-asparagine

Systematic names

ProgramVersionName
OpenEye OEToolkits 1.7.6 (2S)-2-azanyl-4-(oxidanylamino)-4-oxidanylidene-butanoic acid

Formula

C4 H8 N2 O4

Formal charge

0

Molecular weight

148.117 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.370 N[CH](CC(=O)NO)C(O)=O
SMILES OpenEye OEToolkits 1.7.6 C(C(C(=O)O)N)C(=O)NO
Canonical SMILES CACTVS 3.370 N[C@@H](CC(=O)NO)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.6 C([C@@H](C(=O)O)N)C(=O)NO

IUPAC InChI

InChI=1S/C4H8N2O4/c5-2(4(8)9)1-3(7)6-10/h2,10H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1

IUPAC InChI key

ZBYVTTSIVDYQSO-REOHCLBHSA-N
SD4

wwPDB Information

Atom count

18 (10 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

ASN

Defined at

2012-03-01

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned