Marvin  09170716372D          

  6  5  0  0  0  0            999 V2000
   -1.4289   -0.1650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.1650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.1650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.2475    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.7145    1.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  2  5  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  6  1  0  0  0  0
M  END
> <ID>
CHEBI:15837

> <NAME>
isoamylol

> <DEFINITION>
An primary alcohol that is butan-1-ol in which a hydrogen at position 3 has been replaced by a methyl group.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:43359; CHEBI:1597; CHEBI:11855; CHEBI:20125

> <SYNONYM>
primary isoamyl alcohol; Isopentylalkohol; Isopentyl alcohol; isopentanol; isopentan-1-ol; isobutylcarbinol; isoamylol; Isoamyl alcohol; Iso-amylalkohol; i-amyl alcohol; alcool isoamylique; 3-methylbutanol; 3-Methylbutanol; 3-methyl-1-butanol; 2-methyl-4-butanol; 1-HYDROXY-3-METHYLBUTANE

> <IUPAC_NAME>
3-methylbutan-1-ol

> <FORMULA>
C5H12O

> <MASS>
88.14818

> <MONOISOTOPIC_MASS>
88.08882

> <CHARGE>
0

> <SMILES>
CC(C)CCO

> <INCHI>
InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3

> <INCHIKEY>
PHTQWCKDNZKARW-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1718835

> <CAS_REGISTRY_NUMBER>
123-51-3

> <GMELIN_REGISTRY_NUMBER>
49460

> <REAXYS_REGISTRY_NUMBER>
1718835

> <CHEMIDPLUS>
123-51-3

> <DRUGBANK_ACCESSION>
DB02296

> <KEGG_COMPOUND_ACCESSION>
C07328

> <NIST_CHEMISTRY_WEBBOOK>
123-51-3

> <YMDB_ACCESSION>
YMDB00570

> <PUBMED_CITATION>
23043843; 23698045; 24487533; 24767042; 24804072; 24862930

$$$$