LMFA01170064
  LIPID_MAPS_STRUCTURE_DATABASE

 12 11  0  0  0  0  0  0  0  0999 V2000
    5.7169    7.0653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4338    7.4730    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.1381    7.0653    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.8673    7.4730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7169    6.2371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    7.4730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8673    8.3012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5719    7.0653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4338    8.3012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1381    6.2371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8524    5.8247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8524    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  6  1  1  0  0  0  0
  5  1  2  0  0  0  0
  3  2  1  0  0  0  0
  9  2  1  0  0  0  0
  4  3  1  0  0  0  0
 10  3  1  0  0  0  0
  8  4  1  0  0  0  0
  7  4  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
> <LM_ID>
LMFA01170064

> <COMMON_NAME>
3-propylmalic acid

> <SYSTEMATIC_NAME>
2-hydroxy-3-propylbutanedioic acid

> <FORMULA>
C7H12O5

> <MASS>
176.07

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Dicarboxylic acids [FA0117]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
3-propylmalic acid

> <INCHI_KEY>
LOLHYFQEDPGSHZ-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C7H12O5/c1-2-3-4(6(9)10)5(8)7(11)12/h4-5,8H,2-3H2,1H3,(H,9,10)(H,11,12)

> <SMILES>
C(=O)(O)C(O)C(CCC)C(=O)O

> <KEGG_ID>
C02123

> <HMDB_ID>
-

> <CHEBI_ID>
30850

> <ABBREVIATION>
FA 7:1;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
4632710

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]; Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Branched fatty acids [FA0102]; Hydroxy fatty acids [FA0105]

> <ALT_CLASS_LEVEL4S>
-; -

> <TAXONOMY>
-

> <CITATION>
-

$$$$