Chemical Components in the PDB

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TA6 : Summary

Code

TA6

One-letter code

X

Molecule name

6-O-phosphono-beta-D-tagatofuranose

Synonyms

6-O-phosphono-beta-D-tagatose
6-O-phosphono-D-tagatose
6-O-phosphono-tagatose

Systematic names

ProgramVersionName
ACDLabs 10.04 6-O-phosphono-beta-D-tagatofuranose
OpenEye OEToolkits 1.5.0 [(2R,3R,4S,5R)-3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl dihydrogen phosphate

Formula

C6 H13 O9 P

Formal charge

0

Molecular weight

260.136 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=P(O)(O)OCC1OC(O)(CO)C(O)C1O
SMILES CACTVS 3.341 OC[C]1(O)O[CH](CO[P](O)(O)=O)[CH](O)[CH]1O
SMILES OpenEye OEToolkits 1.5.0 C(C1C(C(C(O1)(CO)O)O)O)OP(=O)(O)O
Canonical SMILES CACTVS 3.341 OC[C@@]1(O)O[C@H](CO[P](O)(O)=O)[C@H](O)[C@@H]1O
Canonical SMILES OpenEye OEToolkits 1.5.0 C([C@@H]1[C@@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O

IUPAC InChI

InChI=1S/C6H13O9P/c7-2-6(10)5(9)4(8)3(15-6)1-14-16(11,12)13/h3-5,7-10H,1-2H2,(H2,11,12,13)/t3-,4+,5+,6-/m1/s1

IUPAC InChI key

BGWGXPAPYGQALX-DPYQTVNSSA-N
TA6

wwPDB Information

Atom count

29 (16 without Hydrogen)

Polymer type

Saccharide

Type description

D-saccharide, beta linking

Type code

ATOMS

Is modified

No

Standard parent

Not Assigned

Defined at

2006-03-24

Last modified at

2020-07-17

Status

Released

Obsoleted

Not Assigned