LMSP01080104
  LIPID_MAPS_STRUCTURE_DATABASE

 27 26  0  0  0  0  0  0  0  0999 V2000
   17.7438   -7.1693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8779   -6.6733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0120   -7.1712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1460   -6.6751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2854   -7.1789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4141   -6.6827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5481   -7.1805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6822   -6.6847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8160   -7.1880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9499   -6.6920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0841   -7.1955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7492   -8.1690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.4789   -7.1756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3473   -6.6794    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.4743   -8.1757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.6151   -6.6715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1149   -5.8054    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.1152   -5.8054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1153   -5.8054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2150   -6.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2097   -5.6996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3513   -7.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4822   -6.7092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6185   -7.2140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7496   -6.7185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8858   -7.2233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0168   -6.7278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10 11  1  0     0  0
 16  1  1  0     0  0
  1  2  1  0     0  0
  1 12  1  1     0  0
 16 13  1  0     0  0
 13 14  1  0     0  0
 13 15  2  0     0  0
 16 17  1  6     0  0
 18 16  1  0     0  0
 18 19  1  0     0  0
 11 20  1  0     0  0
 20 21  2  0     0  0
 20 22  1  0     0  0
 22 23  1  0     0  0
 23 24  1  0     0  0
 24 25  1  0     0  0
 25 26  1  0     0  0
 26 27  1  0     0  0
M  END
> <LM_ID>
LMSP01080104

> <COMMON_NAME>
Mycestericin F

> <SYSTEMATIC_NAME>
2S-Amino-3S-hydroxy-2-hydroxymethyl-14-oxo-eicosanoic acid

> <FORMULA>
C21H41NO5

> <MASS>
387.30

> <CATEGORY>
Sphingolipids [SP]

> <MAIN_CLASS>
Sphingoid bases [SP01]

> <SUB_CLASS>
Sphingoid base analogs [SP0108]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
JVVUMRUWQBAVNC-FPOVZHCZSA-N

> <INCHI>
InChI=1S/C21H41NO5/c1-2-3-4-11-14-18(24)15-12-9-7-5-6-8-10-13-16-19(25)21(22,17-23)20(26)27/h19,23,25H,2-17,22H2,1H3,(H,26,27)/t19-,21-/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10834102

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
89443

> <CITATION>
8931716

$$$$