LMFA01170068
  LIPID_MAPS_STRUCTURE_DATABASE

 10  9  0  0  0  0  0  0  0  0999 V2000
    8.4123    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1267    6.4850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1267    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8412    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6978    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6978    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9833    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2688    6.4850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2688    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  6  2  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  6  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  9  1  0  0  0  0
  9  8  2  0  0  0  0
  9 10  1  0  0  0  0
M  END
> <LM_ID>
LMFA01170068

> <COMMON_NAME>
3E-methylglutaconic acid

> <SYSTEMATIC_NAME>
3-methyl-2E-pentenedioic acid

> <FORMULA>
C6H8O4

> <MASS>
144.04

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Dicarboxylic acids [FA0117]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(E)-3-methylglutaconic acid

> <INCHI_KEY>
WKRBKYFIJPGYQC-DUXPYHPUSA-N

> <INCHI>
InChI=1S/C6H8O4/c1-4(2-5(7)8)3-6(9)10/h2H,3H2,1H3,(H,7,8)(H,9,10)/b4-2+

> <SMILES>
C(=C(/CC(O)=O)\C)\C(O)=O

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0000522

> <CHEBI_ID>
37245

> <ABBREVIATION>
FA 6:2;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
1551553

> <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>
Unsaturated fatty acids [FA0103]; Branched fatty acids [FA0102]

> <ALT_CLASS_LEVEL4S>
-; -

> <TAXONOMY>
-

> <CITATION>
-

$$$$