(2S)-1-hydroxy-3-oxooctadecan-2-aminium
  Marvin  11141214152D          

 19 18  0  0  0  0            999 V2000
   -3.5724   -0.1954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.2171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.1954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.2171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.2171    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1434   -0.1954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.1954    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4289    0.2171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    0.2171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.1954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -0.1954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.2171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.1954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.2171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.1954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    0.2171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -0.1954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0012   -1.0206    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.2868    1.0421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  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  CHG  1  18   1
M  END
> <ID>
CHEBI:71009

> <NAME>
hexadecasphinganine(1+)

> <DEFINITION>
A cationic sphingoid that is the conjugate acid of hexadecasphinganine, obtained by protonation of the primary amino function; major species at pH 7.3.

> <STAR>
3

> <SYNONYM>
hexadecasphinganine; hexadecadihydrosphingosine(1+); C16-SA; C16 sphinganine(1+); C16 sphinganine; C16 dihydrosphingosine(1+)

> <IUPAC_NAME>
(2S,3R)-1,3-dihydroxyhexadecan-2-aminium

> <FORMULA>
C16H36NO2

> <MASS>
274.46250

> <MONOISOTOPIC_MASS>
274.27406

> <CHARGE>
1

> <SMILES>
CCCCCCCCCCCCC[C@@H](O)[C@@H]([NH3+])CO

> <INCHI>
InChI=1S/C16H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(19)15(17)14-18/h15-16,18-19H,2-14,17H2,1H3/p+1/t15-,16+/m0/s1

> <INCHIKEY>
ZKLREJQHRKUJHD-JKSUJKDBSA-O

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMSP01040001

> <PUBMED_CITATION>
19648650

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