LMFA01170079
  LIPID_MAPS_STRUCTURE_DATABASE

 10  9  0  0  0  0  0  0  0  0999 V2000
    9.1458    6.4802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4339    6.0693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7221    6.4802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0104    6.0693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2986    6.4802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8575    6.0693    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1458    7.3020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    6.0693    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4339    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3064    7.3020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  2  0  0  0  0
  2  9  1  0  0  0  0
  8  5  1  0  0  0  0
  5 10  2  0  0  0  0
M  END
> <LM_ID>
LMFA01170079

> <COMMON_NAME>
2E-methyl-glutaconic acid

> <SYSTEMATIC_NAME>
2-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>


> <INCHI_KEY>
JKGHDBJDBRBRNA-DUXPYHPUSA-N

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

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

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0002266

> <CHEBI_ID>
165425

> <ABBREVIATION>
FA 6:2;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
6368126

> <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>
-

$$$$