Chemical Components in the PDB

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1BO : Summary

Code

1BO

One-letter code

X

Molecule name

1-BUTANOL

Synonyms

BUTAN-1-OL

Systematic names

ProgramVersionName
ACDLabs 10.04 butan-1-ol
OpenEye OEToolkits 1.5.0 butan-1-ol

Formula

C4 H10 O

Formal charge

0

Molecular weight

74.122 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 OCCCC
SMILES CACTVS 3.341 CCCCO
SMILES OpenEye OEToolkits 1.5.0 CCCCO
Canonical SMILES CACTVS 3.341 CCCCO
Canonical SMILES OpenEye OEToolkits 1.5.0 CCCCO

IUPAC InChI

InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3

IUPAC InChI key

LRHPLDYGYMQRHN-UHFFFAOYSA-N
1BO

wwPDB Information

Atom count

15 (5 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2000-11-07

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned