Chemical Components in the PDB

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6BW : Summary

Code

6BW

One-letter code

X

Molecule name

(2R,5S,10R)-6,10-dimethyl-2-(prop-1-en-2-yl)spiro[4.5]dec-6-ene

Systematic names

ProgramVersionName
ACDLabs 12.01 (2R,5S,10R)-6,10-dimethyl-2-(prop-1-en-2-yl)spiro[4.5]dec-6-ene
OpenEye OEToolkits 2.0.4 (3~{R},5~{S},6~{R})-6,10-dimethyl-3-prop-1-en-2-yl-spiro[4.5]dec-9-ene

Formula

C15 H24

Formal charge

0

Molecular weight

204.351 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 C1C=C(C)C2(C(C1)C)CC(\C(=C)C)CC2
SMILES CACTVS 3.385 C[CH]1CCC=C(C)[C]12CC[CH](C2)C(C)=C
SMILES OpenEye OEToolkits 2.0.4 CC1CCC=C(C12CCC(C2)C(=C)C)C
Canonical SMILES CACTVS 3.385 C[C@@H]1CCC=C(C)[C@]12CC[C@H](C2)C(C)=C
Canonical SMILES OpenEye OEToolkits 2.0.4 C[C@@H]1CCC=C([C@]12CC[C@H](C2)C(=C)C)C

IUPAC InChI

InChI=1S/C15H24/c1-11(2)14-8-9-15(10-14)12(3)6-5-7-13(15)4/h6,13-14H,1,5,7-10H2,2-4H3/t13-,14-,15-/m1/s1

IUPAC InChI key

WEZDOYDDKIHCLM-RBSFLKMASA-N
6BW

wwPDB Information

Atom count

39 (15 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2016-03-04

Last modified at

2016-09-30

Status

Released

Obsoleted

Not Assigned