Chemical Components in the PDB

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RPQ : Summary

Code

RPQ

One-letter code

X

Molecule name

D-rhamnopyranose tetrazole

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 (5~{S},6~{S},7~{R},8~{S})-5-methyl-5,6,7,8-tetrahydro-[1,2,3,4]tetrazolo[1,5-a]pyridine-6,7,8-triol

Formula

C6 H10 N4 O3

Formal charge

0

Molecular weight

186.169 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 C[CH]1[CH](O)[CH](O)[CH](O)c2nnnn12
SMILES OpenEye OEToolkits 2.0.6 CC1C(C(C(c2n1nnn2)O)O)O
Canonical SMILES CACTVS 3.385 C[C@H]1[C@H](O)[C@@H](O)[C@@H](O)c2nnnn12
Canonical SMILES OpenEye OEToolkits 2.0.6 C[C@H]1[C@@H]([C@H]([C@H](c2n1nnn2)O)O)O

IUPAC InChI

InChI=1S/C6H10N4O3/c1-2-3(11)4(12)5(13)6-7-8-9-10(2)6/h2-5,11-13H,1H3/t2-,3-,4+,5+/m0/s1

IUPAC InChI key

RGTARVZVTUMUSY-QMKXCQHVSA-N
RPQ

wwPDB Information

Atom count

23 (13 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2016-12-20

Last modified at

2017-03-17

Status

Released

Obsoleted

Not Assigned