Chemical Components in the PDB

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RIL : Summary

Code

RIL

One-letter code

X

Molecule name

[(4R)-2,2-DIMETHYL-1,3-DIOXOLAN-4-YL]METHYL HYDROGEN HEX-5-ENYLPHOSPHONATE

Systematic names

ProgramVersionName
ACDLabs 10.04 [(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl hydrogen (S)-hex-5-en-1-ylphosphonate
OpenEye OEToolkits 1.5.0 [(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy-hex-5-enyl-phosphinic acid

Formula

C12 H23 O5 P

Formal charge

0

Molecular weight

278.282 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=P(OCC1OC(OC1)(C)C)(O)CCCC\C=C
SMILES CACTVS 3.341 CC1(C)OC[CH](CO[P](O)(=O)CCCCC=C)O1
SMILES OpenEye OEToolkits 1.5.0 CC1(OCC(O1)COP(=O)(CCCCC=C)O)C
Canonical SMILES CACTVS 3.341 CC1(C)OC[C@@H](CO[P@](O)(=O)CCCCC=C)O1
Canonical SMILES OpenEye OEToolkits 1.5.0 CC1(OC[C@H](O1)CO[P@](=O)(CCCCC=C)O)C

IUPAC InChI

InChI=1S/C12H23O5P/c1-4-5-6-7-8-18(13,14)16-10-11-9-15-12(2,3)17-11/h4,11H,1,5-10H2,2-3H3,(H,13,14)/t11-/m0/s1

IUPAC InChI key

BUTLRPVAJSANIT-NSHDSACASA-N
RIL

wwPDB Information

Atom count

41 (18 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2003-10-16

Last modified at

2020-05-27

Status

Released

Obsoleted

Not Assigned