Chemical Components in the PDB

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RAO : Summary

Code

RAO

One-letter code

X

Molecule name

methyl 6-deoxy-alpha-L-rhamnopyranoside

Synonyms

1-O-METHYL-ALPHA-RHAMNOSE
methyl 6-deoxy-alpha-L-mannopyranoside
methyl 6-deoxy-alpha-L-rhamnoside
methyl 6-deoxy-L-rhamnoside
methyl 6-deoxy-rhamnoside

Systematic names

ProgramVersionName
ACDLabs 10.04 methyl 6-deoxy-alpha-L-mannopyranoside
OpenEye OEToolkits 1.5.0 (2R,3R,4R,5R,6S)-2-methoxy-6-methyl-oxane-3,4,5-triol

Formula

C7 H14 O5

Formal charge

0

Molecular weight

178.183 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 OC1C(O)C(O)C(OC1OC)C
SMILES CACTVS 3.341 CO[CH]1O[CH](C)[CH](O)[CH](O)[CH]1O
SMILES OpenEye OEToolkits 1.5.0 CC1C(C(C(C(O1)OC)O)O)O
Canonical SMILES CACTVS 3.341 CO[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O
Canonical SMILES OpenEye OEToolkits 1.5.0 C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC)O)O)O

IUPAC InChI

InChI=1S/C7H14O5/c1-3-4(8)5(9)6(10)7(11-2)12-3/h3-10H,1-2H3/t3-,4-,5+,6+,7+/m0/s1

IUPAC InChI key

OHWCAVRRXKJCRB-PAMBMQIZSA-N
RAO

wwPDB Information

Atom count

26 (12 without Hydrogen)

Polymer type

Saccharide

Type description

L-saccharide

Type code

ATOMS

Is modified

Yes

Standard parent

RAM

Defined at

2002-12-11

Last modified at

2020-07-17

Status

Released

Obsoleted

Not Assigned