Chemical Components in the PDB

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PAV : Summary

Code

PAV

One-letter code

X

Molecule name

(2R,4S)-2-methyl-2,3,3,4-tetrahydroxytetrahydrofuran

Systematic names

ProgramVersionName
ACDLabs 10.04 (2R,4S)-2-methyldihydrofuran-2,3,3,4(2H)-tetrol (non-preferred name)
OpenEye OEToolkits 1.5.0 (2R,4S)-2-methyloxolane-2,3,3,4-tetrol

Formula

C5 H10 O5

Formal charge

0

Molecular weight

150.13 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 OC1(O)C(O)(OCC1O)C
SMILES CACTVS 3.341 C[C]1(O)OC[CH](O)C1(O)O
SMILES OpenEye OEToolkits 1.5.0 CC1(C(C(CO1)O)(O)O)O
Canonical SMILES CACTVS 3.341 C[C@@]1(O)OC[C@H](O)C1(O)O
Canonical SMILES OpenEye OEToolkits 1.5.0 C[C@@]1(C([C@H](CO1)O)(O)O)O

IUPAC InChI

InChI=1S/C5H10O5/c1-4(7)5(8,9)3(6)2-10-4/h3,6-9H,2H2,1H3/t3-,4+/m0/s1

IUPAC InChI key

BVIYGXUQVXBHQS-IUYQGCFVSA-N
PAV

wwPDB Information

Atom count

20 (10 without Hydrogen)

Polymer type

Saccharide

Type description

L-saccharide, alpha linking

Type code

ATOMS

Is modified

No

Standard parent

Not Assigned

Defined at

2004-06-16

Last modified at

2020-07-17

Status

Released

Obsoleted

Not Assigned