Chemical Components in the PDB

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RTG : Summary

Code

RTG

One-letter code

X

Molecule name

6-O-phosphono-alpha-L-idopyranose

Systematic names

ProgramVersionName
ACDLabs 12.01 6-O-phosphono-alpha-L-idopyranose
OpenEye OEToolkits 2.0.7 [(2~{S},3~{S},4~{S},5~{R},6~{R})-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methyl dihydrogen phosphate

Formula

C6 H13 O9 P

Formal charge

0

Molecular weight

260.136 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=P(O)(OCC1OC(C(C(C1O)O)O)O)O
SMILES CACTVS 3.385 O[CH]1O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)[CH]1O
SMILES OpenEye OEToolkits 2.0.7 C(C1C(C(C(C(O1)O)O)O)O)OP(=O)(O)O
Canonical SMILES CACTVS 3.385 O[C@@H]1O[C@@H](CO[P](O)(O)=O)[C@@H](O)[C@H](O)[C@H]1O
Canonical SMILES OpenEye OEToolkits 2.0.7 C([C@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)OP(=O)(O)O

IUPAC InChI

InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3+,4-,5+,6+/m0/s1

IUPAC InChI key

NBSCHQHZLSJFNQ-DSOBHZJASA-N
RTG

wwPDB Information

Atom count

29 (16 without Hydrogen)

Polymer type

Saccharide

Type description

L-saccharide, alpha linking

Type code

ATOMS

Is modified

Yes

Standard parent

Z0F

Defined at

2020-02-25

Last modified at

2020-07-17

Status

Released

Obsoleted

Not Assigned