Chemical Components in the PDB

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SL5 : Summary

Code

SL5

One-letter code

X

Molecule name

(2S,4S,5R)-2-[(2-hydroxyethoxy)methyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 (2S,4S,5R)-2-[(2-hydroxyethoxy)methyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid
OpenEye OEToolkits 1.7.6 (2S,4S,5R)-2-(2-hydroxyethyloxymethyl)-5-methyl-1,3-oxazolidine-4-carboxylic acid

Formula

C8 H15 N O5

Formal charge

0

Molecular weight

205.208 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(O)C1NC(OC1C)COCCO
SMILES CACTVS 3.370 C[CH]1O[CH](COCCO)N[CH]1C(O)=O
SMILES OpenEye OEToolkits 1.7.6 CC1C(NC(O1)COCCO)C(=O)O
Canonical SMILES CACTVS 3.370 C[C@H]1O[C@@H](COCCO)N[C@@H]1C(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.6 C[C@@H]1[C@H](N[C@@H](O1)COCCO)C(=O)O

IUPAC InChI

InChI=1S/C8H15NO4.H2O/c1-3-12-4-6-9-7(8(10)11)5(2)13-6;/h5-7,9H,3-4H2,1-2H3,(H,10,11);1H2/p-1/t5-,6+,7+;/m1./s1

IUPAC InChI key

DCKIKIARQLUQCX-NLRFIBDTSA-M
SL5

wwPDB Information

Atom count

29 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2012-06-06

Last modified at

2013-06-21

Status

Released

Obsoleted

Not Assigned