Chemical Components in the PDB

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PIS : Summary

Code

PIS

One-letter code

X

Molecule name

TRIHYDROGEN THIODIPHOSPHATE

Synonyms

THIOPYROPHOSPHATE

Systematic names

ProgramVersionName
ACDLabs 10.04 trihydrogen thiodiphosphate
OpenEye OEToolkits 1.5.0 phosphonooxy-sulfido-phosphinic acid

Formula

H3 O6 P2 S

Formal charge

-1

Molecular weight

193.033 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 [S-]P(=O)(O)OP(=O)(O)O
SMILES CACTVS 3.341 O[P](O)(=O)O[P](O)([S-])=O
SMILES OpenEye OEToolkits 1.5.0 OP(=O)(O)OP(=O)(O)[S-]
Canonical SMILES CACTVS 3.341 O[P](O)(=O)O[P@](O)([S-])=O
Canonical SMILES OpenEye OEToolkits 1.5.0 OP(=O)(O)O[P@](=O)(O)[S-]

IUPAC InChI

InChI=1S/H4O6P2S/c1-7(2,3)6-8(4,5)9/h(H2,1,2,3)(H2,4,5,9)/p-1

IUPAC InChI key

HWTUHTNZLQJJEV-UHFFFAOYSA-M
PIS

wwPDB Information

Atom count

12 (9 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2004-06-29

Last modified at

2021-03-01

Status

Released

Obsoleted

Not Assigned