Chemical Components in the PDB

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SGU : Summary

Code

SGU

One-letter code

X

Molecule name

(5S)-5-methyloxolane-2,2-diol

Systematic names

ProgramVersionName
ACDLabs 12.01 (5S)-5-methyloxolane-2,2-diol
OpenEye OEToolkits 2.0.7 (5~{S})-5-methyloxolane-2,2-diol

Formula

C5 H10 O3

Formal charge

0

Molecular weight

118.131 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 CC1CCC(O)(O)O1
SMILES CACTVS 3.385 C[CH]1CCC(O)(O)O1
SMILES OpenEye OEToolkits 2.0.7 CC1CCC(O1)(O)O
Canonical SMILES CACTVS 3.385 C[C@H]1CCC(O)(O)O1
Canonical SMILES OpenEye OEToolkits 2.0.7 C[C@H]1CCC(O1)(O)O

IUPAC InChI

InChI=1S/C5H10O3/c1-4-2-3-5(6,7)8-4/h4,6-7H,2-3H2,1H3/t4-/m0/s1

IUPAC InChI key

MGKWNPVXYGZJRN-BYPYZUCNSA-N
SGU

wwPDB Information

Atom count

18 (8 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2022-07-01

Last modified at

2023-01-06

Status

Released

Obsoleted

Not Assigned