Chemical Components in the PDB

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DG2 : Summary

Code

DG2

One-letter code

X

Molecule name

(2R)-2,3-diphosphoglyceric acid

Synonyms

2,3-Bisphosphoglyceric acid
2,3-bisphosphoglycerate
2,3-BPG
2,3-diphosphoglyceric acid
2,3-diphosphoglycerate
2,3-DPG
(2~{R})-2,3-diphosphonooxypropanoic acid

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.5 (2~{R})-2,3-diphosphonooxypropanoic acid

Formula

C3 H8 O10 P2

Formal charge

0

Molecular weight

266.037 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 OC(=O)[CH](CO[P](O)(O)=O)O[P](O)(O)=O
SMILES OpenEye OEToolkits 2.0.5 C(C(C(=O)O)OP(=O)(O)O)OP(=O)(O)O
Canonical SMILES CACTVS 3.385 OC(=O)[C@@H](CO[P](O)(O)=O)O[P](O)(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.5 C([C@H](C(=O)O)OP(=O)(O)O)OP(=O)(O)O

IUPAC InChI

InChI=1S/C3H8O10P2/c4-3(5)2(13-15(9,10)11)1-12-14(6,7)8/h2H,1H2,(H,4,5)(H2,6,7,8)(H2,9,10,11)/t2-/m1/s1

IUPAC InChI key

XOHUEYCVLUUEJJ-UWTATZPHSA-N
DG2

wwPDB Information

Atom count

23 (15 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned