Chemical Components in the PDB

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OPM : Summary

Code

OPM

One-letter code

X

Molecule name

pentyl alpha-D-mannopyranoside

Synonyms

O1-PENTYL-MANNOSE
pentyl alpha-D-mannoside
pentyl D-mannoside
pentyl mannoside

Systematic names

ProgramVersionName
ACDLabs 10.04 pentyl alpha-D-mannopyranoside
OpenEye OEToolkits 1.5.0 (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-pentoxy-oxane-3,4,5-triol

Formula

C11 H22 O6

Formal charge

0

Molecular weight

250.289 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O(CCCCC)C1OC(C(O)C(O)C1O)CO
SMILES CACTVS 3.341 CCCCCO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O
SMILES OpenEye OEToolkits 1.5.0 CCCCCOC1C(C(C(C(O1)CO)O)O)O
Canonical SMILES CACTVS 3.341 CCCCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O
Canonical SMILES OpenEye OEToolkits 1.5.0 CCCCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O

IUPAC InChI

InChI=1S/C11H22O6/c1-2-3-4-5-16-11-10(15)9(14)8(13)7(6-12)17-11/h7-15H,2-6H2,1H3/t7-,8-,9+,10+,11+/m1/s1

IUPAC InChI key

RYIWDDCNJPSPRA-UVOCVTCTSA-N
OPM

wwPDB Information

Atom count

39 (17 without Hydrogen)

Polymer type

Saccharide

Type description

D-saccharide

Type code

ATOMS

Is modified

Yes

Standard parent

MAN

Defined at

2002-07-10

Last modified at

2020-07-17

Status

Released

Obsoleted

Not Assigned