Marvin  06031315402D          

 21 20  0  0  1  0            999 V2000
   18.1458   -2.9352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8561   -3.3453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.4303   -3.3453    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.7144   -2.9352    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.9985   -3.3453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2826   -2.9352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5667   -3.3453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8508   -2.9352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1350   -3.3453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4191   -2.9352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7033   -3.3453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9874   -2.9352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2716   -3.3453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5557   -2.9352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8398   -3.3453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1240   -3.3453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4082   -2.9352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6922   -3.3453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9764   -2.9352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4303   -4.1654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.7144   -2.1149    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
  3 20  1  6  0  0  0
  4 21  1  1  0  0  0
M  END
> <ID>
CHEBI:73889

> <NAME>
sphinga-4E,14Z-dienine

> <DEFINITION>
A sphingoid that is sphingosine having an additional cis-double bond at position 14.

> <STAR>
3

> <SYNONYM>
4E,14Z-Sphingadiene; (4E,14Z)-sphingadienine

> <IUPAC_NAME>
(2S,3R,4E,14Z)-2-aminooctadeca-4,14-diene-1,3-diol

> <FORMULA>
C18H35NO2

> <MASS>
297.47600

> <MONOISOTOPIC_MASS>
297.26678

> <CHARGE>
0

> <SMILES>
CCC\C=C/CCCCCCCC\C=C\[C@@H](O)[C@@H](N)CO

> <INCHI>
InChI=1S/C18H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h4-5,14-15,17-18,20-21H,2-3,6-13,16,19H2,1H3/b5-4-,15-14+/t17-,18+/m0/s1

> <INCHIKEY>
KWDXKYNWAKMLKK-YQDZIVAPSA-N

> <CAS_REGISTRY_NUMBER>
25696-03-1

> <CHEMIDPLUS>
25696-03-1

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMSP01080002

$$$$