Chemical Components in the PDB

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BVH : Summary

Code

BVH

One-letter code

X

Molecule name

(1R,2R,4S)-4-ethenylcyclohexane-1,2-diol

Systematic names

ProgramVersionName
ACDLabs 12.01 (1R,2R,4S)-4-ethenylcyclohexane-1,2-diol
OpenEye OEToolkits 2.0.6 (1~{R},2~{R},4~{S})-4-ethenylcyclohexane-1,2-diol

Formula

C8 H14 O2

Formal charge

0

Molecular weight

142.196 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 C1(CCC(\C=C)CC1O)O
SMILES CACTVS 3.385 O[CH]1CC[CH](C[CH]1O)C=C
SMILES OpenEye OEToolkits 2.0.6 C=CC1CCC(C(C1)O)O
Canonical SMILES CACTVS 3.385 O[C@@H]1CC[C@@H](C[C@H]1O)C=C
Canonical SMILES OpenEye OEToolkits 2.0.6 C=C[C@H]1CC[C@H]([C@@H](C1)O)O

IUPAC InChI

InChI=1S/C8H14O2/c1-2-6-3-4-7(9)8(10)5-6/h2,6-10H,1,3-5H2/t6-,7+,8+/m0/s1

IUPAC InChI key

BSJHRRSHDADBTA-XLPZGREQSA-N
BVH

wwPDB Information

Atom count

24 (10 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2016-11-11

Last modified at

2024-09-27

Status

Released

Obsoleted

Not Assigned