Marvin  11141215132D          

 19 18  0  0  1  0            999 V2000
    6.7579   -7.5732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4725   -7.1607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9026   -7.5732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1881   -7.1607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6170   -7.1607    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.4736   -7.5732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3315   -7.5732    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.7591   -7.1607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0460   -7.1607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0447   -7.5732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7604   -7.5732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3303   -7.1607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6158   -7.5732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9014   -7.1607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1869   -7.5732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0436   -7.1607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3291   -7.5732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3314   -8.3984    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.6170   -6.3357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7 18  1  6  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15  2  1  0  0  0  0
 14 15  1  0  0  0  0
  1 16  1  0  0  0  0
 16 17  1  0  0  0  0
  5 19  1  1  0  0  0
M  END
> <ID>
CHEBI:71052

> <NAME>
hexadecasphing-4-enine

> <DEFINITION>
A sphingoid that is the C16 analogue of sphingosine.

> <STAR>
3

> <SYNONYM>
Sphingosine d16:1; hexadecasphingosine; C16 sphingosine

> <IUPAC_NAME>
(2S,3R,4E)-2-aminohexadec-4-ene-1,3-diol

> <FORMULA>
C16H33NO2

> <MASS>
271.43870

> <MONOISOTOPIC_MASS>
271.25113

> <CHARGE>
0

> <SMILES>
CCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)CO

> <INCHI>
InChI=1S/C16H33NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(19)15(17)14-18/h12-13,15-16,18-19H,2-11,14,17H2,1H3/b13-12+/t15-,16+/m0/s1

> <INCHIKEY>
BTUSGZZCQZACPT-YYZTVXDQSA-N

> <REAXYS_REGISTRY_NUMBER>
6056281

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMSP01040008

$$$$