Chemical Components in the PDB

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CVU : Summary

Code

CVU

One-letter code

X

Molecule name

L-Fuculose open form

Synonyms

6-deoxy-L-tagatose

Systematic names

ProgramVersionName
ACDLabs 12.01 6-deoxy-L-tagatose
OpenEye OEToolkits 1.7.6 (3R,4R,5S)-1,3,4,5-tetrakis(oxidanyl)hexan-2-one

Formula

C6 H12 O5

Formal charge

0

Molecular weight

164.156 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(C(O)C(O)C(O)C)CO
SMILES CACTVS 3.385 C[CH](O)[CH](O)[CH](O)C(=O)CO
SMILES OpenEye OEToolkits 1.7.6 CC(C(C(C(=O)CO)O)O)O
Canonical SMILES CACTVS 3.385 C[C@H](O)[C@@H](O)[C@@H](O)C(=O)CO
Canonical SMILES OpenEye OEToolkits 1.7.6 C[C@@H]([C@H]([C@H](C(=O)CO)O)O)O

IUPAC InChI

InChI=1S/C6H12O5/c1-3(8)5(10)6(11)4(9)2-7/h3,5-8,10-11H,2H2,1H3/t3-,5+,6-/m0/s1

IUPAC InChI key

QZNPNKJXABGCRC-LFRDXLMFSA-N
CVU

wwPDB Information

Atom count

23 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2013-08-16

Last modified at

2014-07-22

Status

Released

Obsoleted

Not Assigned