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- ChemComp-SBT: 2-BUTANOL -

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Basic information

EntryDatabase: PDB chemical components / ID: SBT
NameName: 2-butanol

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Chemical information

Composition
Formula: C4H10O / Number of atoms: 15 / Formula weight: 74.122 / Formal charge: 0
Others

1bxz

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: SBT / Model coordinates PDB-ID: 1BXZ
History
Create componentJul 8, 1999
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 10.04OC(C)CC
CACTVS 3.341CC[CH](C)O
OpenEye OEToolkits 1.5.0CCC(C)O

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SMILES CANONICAL

CACTVS 3.341CC[C@H](C)O
OpenEye OEToolkits 1.5.0CC[C@H](C)O

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InChI

InChI 1.03InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3/t4-/m0/s1

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InChIKey

InChI 1.03BTANRVKWQNVYAZ-BYPYZUCNSA-N

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SYSTEMATIC NAME

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

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PDB entries

Showing all 6 items

PDB-1bxz:
CRYSTAL STRUCTURE OF A THERMOPHILIC ALCOHOL DEHYDROGENASE SUBSTRATE COMPLEX FROM THERMOANAEROBACTER BROCKII

PDB-2plh:
STRUCTURE OF ALPHA-1-PUROTHIONIN AT ROOM TEMPERATURE AND 2.8 ANGSTROMS RESOLUTION

PDB-4ejn:
Crystal structure of autoinhibited form of AKT1 in complex with N-(4-(5-(3-acetamidophenyl)-2-(2-aminopyridin-3-yl)-3H-imidazo[4,5-b]pyridin-3-yl)benzyl)-3-fluorobenzamide

PDB-4kd5:
substrate binding domain of putative molybdenum ABC transporter from Clostridium difficile

PDB-5jyb:
Crystal structure of 3 mutant of Ba3275 (S116A, E243A, H313A), the member of S66 family of serine peptidases

PDB-6nkf:
Crystal Structure of the Lipase Lip_vut4 from Goat Rumen metagenome.

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