Chemical Components in the PDB

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P1W : Summary

Code

P1W

One-letter code

X

Molecule name

3-methylbut-2-en-1-ol

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 3-methylbut-2-en-1-ol

Formula

C5 H10 O

Formal charge

0

Molecular weight

86.132 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CC(C)=CCO
SMILES OpenEye OEToolkits 2.0.7 CC(=CCO)C
Canonical SMILES CACTVS 3.385 CC(C)=CCO
Canonical SMILES OpenEye OEToolkits 2.0.7 CC(=CCO)C

IUPAC InChI

InChI=1S/C5H10O/c1-5(2)3-4-6/h3,6H,4H2,1-2H3

IUPAC InChI key

ASUAYTHWZCLXAN-UHFFFAOYSA-N
P1W

wwPDB Information

Atom count

16 (6 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-04-14

Last modified at

2020-06-05

Status

Released

Obsoleted

Not Assigned