Chemical Components in the PDB

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03W : Summary

Code

03W

One-letter code

X

Molecule name

(2R)-propane-1,1,2,3-tetrol

Systematic names

ProgramVersionName
ACDLabs 12.01 (2R)-propane-1,1,2,3-tetrol
OpenEye OEToolkits 1.7.2 (2R)-propane-1,1,2,3-tetrol

Formula

C3 H8 O4

Formal charge

0

Molecular weight

108.093 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 OCC(O)C(O)O
SMILES CACTVS 3.370 OC[CH](O)C(O)O
SMILES OpenEye OEToolkits 1.7.2 C(C(C(O)O)O)O
Canonical SMILES CACTVS 3.370 OC[C@@H](O)C(O)O
Canonical SMILES OpenEye OEToolkits 1.7.2 C([C@H](C(O)O)O)O

IUPAC InChI

InChI=1S/C3H8O4/c4-1-2(5)3(6)7/h2-7H,1H2/t2-/m1/s1

IUPAC InChI key

MQVRLONNONYDJP-UWTATZPHSA-N
03W

wwPDB Information

Atom count

15 (7 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2011-10-11

Last modified at

2011-10-21

Status

Released

Obsoleted

Not Assigned