LMFA01050488
  LIPID_MAPS_STRUCTURE_DATABASE

 21 20  0  0  0  0            999 V2000
   -5.2941   -0.6435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5640   -1.0277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8723   -0.6435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1423   -1.0277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4122   -0.6435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6821   -1.0277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9904   -0.6435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2604   -1.0277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4698   -0.6435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1998   -1.0277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8915   -0.6435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6216   -1.0277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3517   -0.6435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0817   -1.0277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7734   -0.6435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5035   -1.0277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2941    0.2019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0242   -1.0277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8723    0.2019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1423   -1.8731    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1423   -0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
 18  1  1  0  0  0  0
 17  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
 19  3  1  0  0  0  0
  5  4  1  0  0  0  0
 20  4  1  0  0  0  0
 21  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
M  END
> <LM_ID>
LMFA01050488

> <COMMON_NAME>
3,4-dihydroxy-4-methylhexadecanoic acid

> <SYSTEMATIC_NAME>
2,5-dideoxy-4-C-dodecylpentonic acid

> <FORMULA>
C17H34O4

> <MASS>
302.25

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Hydroxy fatty acids [FA0105]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
3,4-dihydroxy-4-methylpalmitic acid

> <INCHI_KEY>
NACNPFXTZNCJJY-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C17H34O4/c1-3-4-5-6-7-8-9-10-11-12-13-17(2,21)15(18)14-16(19)20/h15,18,21H,3-14H2,1-2H3,(H,19,20)

> <SMILES>
C(=O)(O)CC(O)C(C)(O)CCCCCCCCCCCC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
68513

> <ABBREVIATION>
FA 17:0;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
17862689

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Branched fatty acids [FA0102]

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$