|
SBT : Summary
Code
|
SBT
|
One-letter code
|
X
|
Molecule name
|
2-BUTANOL
|
Systematic names
|
|
Formula
|
C4 H10 O
|
Formal charge
|
0
|
Molecular weight
|
74.122 Da
|
SMILES
|
Type | Program | Version | Descriptor |
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 |
|
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
|
|