LMFA01170083
  LIPID_MAPS_STRUCTURE_DATABASE

 12 11  0  0  0  0  0  0  0  0999 V2000
    8.4123    7.0891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6978    6.6765    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9833    7.0891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2688    6.6765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1267    6.6765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4123    7.9140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2688    5.8515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    7.0890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1103    5.9620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2853    5.9620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5708    5.5495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6978    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  1  5  1  0  0  0  0
  1  6  2  0  0  0  0
  4  7  2  0  0  0  0
  4  8  1  0  0  0  0
  2  9  1  6  0  0  0
  2 10  1  1  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
M  END
> <LM_ID>
LMFA01170083

> <COMMON_NAME>
2-isopropyl-malic acid

> <SYSTEMATIC_NAME>
(2S)-2-isopropyl-2-hydroxy-butanedioic 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>


> <INCHI_KEY>
BITYXLXUCSKTJS-ZETCQYMHSA-N

> <INCHI>
InChI=1S/C7H12O5/c1-4(2)7(12,6(10)11)3-5(8)9/h4,12H,3H2,1-2H3,(H,8,9)(H,10,11)/t7-/m0/s1

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

> <KEGG_ID>
C02504

> <HMDB_ID>
HMDB0000402

> <CHEBI_ID>
35128

> <ABBREVIATION>
FA 7:1;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5280523

> <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>
-

$$$$