Marvin  05051111082D          

 26 25  0  0  1  0            999 V2000
   13.4615  -11.1710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7418  -10.7654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0355  -11.1842    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.3170  -10.7785    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.0430  -12.0089    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6061  -11.1973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3095   -9.9584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8921  -10.7916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1813  -11.2104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4673  -10.8046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7565  -11.2234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0427  -10.8177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3317  -11.2365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6134  -10.8308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4619   -9.9836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1702   -9.5682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8840   -9.9739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7445   -9.5759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0363   -9.9926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6047  -10.0058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3185   -9.5858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3215  -12.4152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3139  -13.2391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6115  -11.9936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0241  -13.6607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5951  -13.6440    0.0000 R#  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  6  0  0  0
  4  6  1  0  0  0  0
  4  7  1  1  0  0  0
  6  8  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 11 12  1  0  0  0  0
 10 11  1  0  0  0  0
  9 10  1  0  0  0  0
 16 15  1  0  0  0  0
  8  9  1  0  0  0  0
 17 16  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 14 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 20  1  0  0  0  0
  5 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
M  RGP  1  26   1
M  END
> <ID>
CHEBI:16456

> <NAME>
2-(2-hydroxyacyl)sphingosine

> <DEFINITION>
A ceramide in which the N-acyl moiety bears a hydroxy group α- to the carboxamide group.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:19408; CHEBI:11461; CHEBI:964

> <SYNONYM>
a N-(2-hydroxyacyl)sphing-4-enine; 2-N-(2-hydroxyacyl)sphingosines; 2-N-(2-hydroxyacyl)sphingosine; 2-(2-hydroxyacyl)sphingosines

> <FORMULA>
C20H38NO4R

> <MASS>
356.52000

> <MONOISOTOPIC_MASS>
356.28008

> <CHARGE>
0

> <SMILES>
CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO)NC(=O)C(O)[*]

> <KEGG_COMPOUND_ACCESSION>
C03823

> <METACYC_ACCESSION>
2-2-HYDROXYACYLSPHINGOSINE

$$$$