LMFA01170074
  LIPID_MAPS_STRUCTURE_DATABASE

 23 22  0  0  0  0  0  0  0  0999 V2000
    6.6321    6.8873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3683    6.4858    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.0711    6.8873    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.8074    6.4858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5102    6.8873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2464    6.4858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9492    6.8873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6519    6.4858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3882    6.8873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0909    6.4858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7937    6.8873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5299    6.4858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2327    6.8873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9293    6.4858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    6.8873    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9293    5.6491    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3683    5.6491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6321    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0711    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0711    7.7239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8074    8.1256    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3683    8.1256    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3683    7.3224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
 14  1  1  0  0  0  0
  3  2  1  0  0  0  0
 17  2  1  0  0  0  0
  2 23  1  1  0  0  0
  3  4  1  1  0  0  0
 20  3  1  0  0  0  0
  5  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
 15 14  2  0  0  0  0
 16 14  1  0  0  0  0
 18 17  2  0  0  0  0
 19 17  1  0  0  0  0
 21 20  2  0  0  0  0
 22 20  1  0  0  0  0
M  END
> <LM_ID>
LMFA01170074

> <COMMON_NAME>
(2S,3S)-2-hydroxytridecane-1,2,3-tricarboxylic acid

> <SYSTEMATIC_NAME>
(2S,3S)-2-hydroxytridecane-1,2,3-tricarboxylic acid

> <FORMULA>
C16H28O7

> <MASS>
332.18

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Dicarboxylic acids [FA0117]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(2S,3S)-2-Hydroxytridecane-1,2,3-tricarboxylate;(2S,3S)-2-hydroxytridecane-1,2,3-tricarboxylate;(2S,3S)-2-hydroxytridecane-1,2,3-tricarboxylic acid

> <INCHI_KEY>
DQIHPEKINXOMBM-WBMJQRKESA-N

> <INCHI>
InChI=1S/C16H28O7/c1-2-3-4-5-6-7-8-9-10-12(14(19)20)16(23,15(21)22)11-13(17)18/h12,23H,2-11H2,1H3,(H,17,18)(H,19,20)(H,21,22)/t12-,16+/m1/s1

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

> <KEGG_ID>
C04655

> <HMDB_ID>
-

> <CHEBI_ID>
15608

> <ABBREVIATION>
FA 16:2;O5

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5458468

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Hydroxy fatty acids [FA0105]

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$