Chemical Components in the PDB

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SBT : Summary

Code

SBT

One-letter code

X

Molecule name

2-BUTANOL

Systematic names

ProgramVersionName
ACDLabs 10.04 (2S)-butan-2-ol
OpenEye OEToolkits 1.5.0 (2S)-butan-2-ol

Formula

C4 H10 O

Formal charge

0

Molecular weight

74.122 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 OC(C)CC
SMILES CACTVS 3.341 CC[CH](C)O
SMILES OpenEye OEToolkits 1.5.0 CCC(C)O
Canonical SMILES CACTVS 3.341 CC[C@H](C)O
Canonical SMILES OpenEye OEToolkits 1.5.0 CC[C@H](C)O

IUPAC InChI

InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3/t4-/m0/s1

IUPAC InChI key

BTANRVKWQNVYAZ-BYPYZUCNSA-N
SBT

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

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned