Chemical Components in the PDB

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64K : Summary

Code

64K

One-letter code

X

Molecule name

alpha-D-arabinopyranose

Synonyms

alpha-D-arabinose
D-arabinose
arabinose

Systematic names

ProgramVersionName
ACDLabs 12.01 alpha-D-arabinopyranose
OpenEye OEToolkits 2.0.4 (2~{S},3~{S},4~{R},5~{R})-oxane-2,3,4,5-tetrol

Formula

C5 H10 O5

Formal charge

0

Molecular weight

150.13 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 OC1C(OCC(C1O)O)O
SMILES CACTVS 3.385 O[CH]1CO[CH](O)[CH](O)[CH]1O
SMILES OpenEye OEToolkits 2.0.4 C1C(C(C(C(O1)O)O)O)O
Canonical SMILES CACTVS 3.385 O[C@@H]1CO[C@H](O)[C@@H](O)[C@@H]1O
Canonical SMILES OpenEye OEToolkits 2.0.4 C1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O

IUPAC InChI

InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3-,4+,5+/m1/s1

IUPAC InChI key

SRBFZHDQGSBBOR-MBMOQRBOSA-N
64K

wwPDB Information

Atom count

20 (10 without Hydrogen)

Polymer type

Saccharide

Type description

D-saccharide, alpha linking

Type code

ATOMS

Is modified

No

Standard parent

Not Assigned

Defined at

2016-01-25

Last modified at

2020-07-17

Status

Released

Obsoleted

Not Assigned