Chemical Components in the PDB

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0QZ : Summary

Code

0QZ

One-letter code

X

Molecule name

D-Isoserine

Synonyms

(2R)-3-amino-2-hydroxypropanoic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 (2R)-3-amino-2-hydroxypropanoic acid
OpenEye OEToolkits 1.7.6 (2R)-3-azanyl-2-oxidanyl-propanoic acid

Formula

C3 H7 N O3

Formal charge

0

Molecular weight

105.093 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(O)C(O)CN
SMILES CACTVS 3.370 NC[CH](O)C(O)=O
SMILES OpenEye OEToolkits 1.7.6 C(C(C(=O)O)O)N
Canonical SMILES CACTVS 3.370 NC[C@@H](O)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.6 C([C@H](C(=O)O)O)N

IUPAC InChI

InChI=1S/C3H7NO3/c4-1-2(5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m1/s1

IUPAC InChI key

BMYNFMYTOJXKLE-UWTATZPHSA-N
0QZ

wwPDB Information

Atom count

14 (7 without Hydrogen)

Polymer type

Amino Acid

Type description

D-PEPTIDE LINKING

Type code

ATOMP

Is modified

No

Standard parent

Not Assigned

Defined at

2012-08-23

Last modified at

2014-05-02

Status

Released

Obsoleted

Not Assigned