Mrv0541 06161412092D          

 12 11  0  0  0  0            999 V2000
    4.8097  -24.1685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8097  -24.9935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0952  -23.7560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0952  -25.4060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3807  -24.1685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3807  -24.9935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5241  -23.7561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2386  -24.1687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5241  -25.4060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9579  -23.7560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6711  -24.1705    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9601  -22.9310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  2  0  0  0  0
  9  2  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
M  END
> <ID>
CHEBI:50467

> <NAME>
trans-2-decenoic acid

> <DEFINITION>
A 2-decenoic acid having its double bond in the trans configuration. It is an intermediate metabolite in the fatty acid synthesis.

> <STAR>
3

> <SYNONYM>
trans-dec-2-enoic acid; C10:1, n-8 trans; 2-trans-decenoic acid; 10:1, n-8 trans; (E)-2-Decensaeure; (E)-2-decenoic acid; (2E)-decenoic acid

> <IUPAC_NAME>
(2E)-dec-2-enoic acid

> <FORMULA>
C10H18O2

> <MASS>
170.24870

> <MONOISOTOPIC_MASS>
170.13068

> <CHARGE>
0

> <SMILES>
CCCCCCC\C=C\C(O)=O

> <INCHI>
InChI=1S/C10H18O2/c1-2-3-4-5-6-7-8-9-10(11)12/h8-9H,2-7H2,1H3,(H,11,12)/b9-8+

> <INCHIKEY>
WXBXVVIUZANZAU-CMDGGOBGSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1721991

> <CAS_REGISTRY_NUMBER>
334-49-6

> <REAXYS_REGISTRY_NUMBER>
1721991

> <CHEMIDPLUS>
334-49-6

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMFA01030029

> <PUBMED_CITATION>
18830443

$$$$