Ketcher 11131811402D 1   1.00000     0.00000     0

 14 13  0     0  0            999 V2000
    1.0825   -9.0232    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9486   -8.5233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8147   -9.0232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6808   -8.5233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5468   -9.0232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4129   -8.5233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2790   -9.0232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1450   -8.5233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0112   -9.0232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8773   -8.5233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7434   -9.0232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6094   -8.5233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4755   -9.0232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4129   -7.5232    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  2  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  7  1  0     0  0
  7  8  2  0     0  0
  8  9  1  0     0  0
  9 10  2  0     0  0
 10 11  1  0     0  0
 11 12  2  0     0  0
 12 13  1  0     0  0
  6 14  1  6     0  0
M  END
> <ID>
CHEBI:142566

> <NAME>
(2E,5S,6E,8E,10E)-1-aminododeca-2,6,8,10-tetraen-5-ol

> <DEFINITION>
An amino alcohol that is dodeca-2,6,8,10-tetraen-1-amine in which all four double bonds have trans configuration and in which the pro-S hydrogen at position 5 has been replaced by a hydroxy group.

> <STAR>
3

> <IUPAC_NAME>
(2E,5S,6E,8E,10E)-1-aminododeca-2,6,8,10-tetraen-5-ol

> <FORMULA>
C12H19NO

> <MASS>
193.286

> <MONOISOTOPIC_MASS>
193.14666

> <CHARGE>
0

> <SMILES>
NC/C=C/C[C@@H](/C=C/C=C/C=C/C)O

> <INCHI>
InChI=1S/C12H19NO/c1-2-3-4-5-6-9-12(14)10-7-8-11-13/h2-9,12,14H,10-11,13H2,1H3/b3-2+,5-4+,8-7+,9-6+/t12-/m1/s1

> <INCHIKEY>
IWHNBGKZOVCSTH-QHHLHPODSA-N

> <METACYC_ACCESSION>
CPD-19932

> <PUBMED_CITATION>
17009021; 28451186

$$$$