Chemical Components in the PDB

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PRW : Summary

Code

PRW

One-letter code

X

Molecule name

(2R,3R)-4-AMINO-2,3-DIHYDROXYBUTANOIC ACID

Systematic names

ProgramVersionName
ACDLabs 10.04 (2R,3R)-4-amino-2,3-dihydroxybutanoic acid
OpenEye OEToolkits 1.6.1 (2R,3R)-4-amino-2,3-dihydroxy-butanoic acid

Formula

C4 H9 N O4

Formal charge

0

Molecular weight

135.119 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)C(O)C(O)CN
SMILES CACTVS 3.352 NC[CH](O)[CH](O)C(O)=O
SMILES OpenEye OEToolkits 1.6.1 C(C(C(C(=O)O)O)O)N
Canonical SMILES CACTVS 3.352 NC[C@@H](O)[C@@H](O)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.6.1 C([C@H]([C@H](C(=O)O)O)O)N

IUPAC InChI

InChI=1S/C4H9NO4/c5-1-2(6)3(7)4(8)9/h2-3,6-7H,1,5H2,(H,8,9)/t2-,3-/m1/s1

IUPAC InChI key

WITVYMTUWTVRND-PWNYCUMCSA-N
PRW

wwPDB Information

Atom count

18 (9 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2010-02-02

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned