LMFA01050475
  LIPID_MAPS_STRUCTURE_DATABASE

 12 11  0  0  0  0            999 V2000
   -2.5006    0.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572   -0.2063    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0717    0.2063    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5006   -0.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862    1.0312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717   -1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572   -1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717    1.0312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  9  3  2  0  0  0  0
  4  3  1  0  0  0  0
 10  4  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  6 11  1  6  0  0  0
  7  6  1  0  0  0  0
  2  7  1  0  0  0  0
  7 12  1  1  0  0  0
  8  3  1  0  0  0  0
M  END
> <LM_ID>
LMFA01050475

> <COMMON_NAME>
2-dehydro-3-deoxy-D-gluconic acid

> <SYSTEMATIC_NAME>
3-deoxy-D-erythro-hex-2-ulosonic acid

> <FORMULA>
C6H10O6

> <MASS>
178.05

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Hydroxy fatty acids [FA0105]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
3-Deoxy-2-oxo-D-gluconate;3-deoxy-D-erythro-2-hexulosonic acid

> <INCHI_KEY>
WPAMZTWLKIDIOP-WVZVXSGGSA-N

> <INCHI>
InChI=1S/C6H10O6/c7-2-5(10)3(8)1-4(9)6(11)12/h3,5,7-8,10H,1-2H2,(H,11,12)/t3-,5+/m0/s1

> <SMILES>
OC[C@@H](O)[C@@H](O)CC(=O)C(O)=O

> <KEGG_ID>
C00204

> <HMDB_ID>
-

> <CHEBI_ID>
17032

> <ABBREVIATION>
FA 6:1;O4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
161227

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Oxo fatty acids [FA0106]

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$