LMFA01170091
  LIPID_MAPS_STRUCTURE_DATABASE

 11 10  0  0  0  0  0  0  0  0999 V2000
    8.5927    5.4111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8806    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1686    5.4111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4565    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7445    5.4111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3047    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5927    6.2332    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7523    6.2332    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1686    6.2332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4566    6.6443    0.0000 O   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
  4  5  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  2  0  0  0  0
  8  5  1  0  0  0  0
  5  9  2  0  0  0  0
  3 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <LM_ID>
LMFA01170091

> <COMMON_NAME>
3-hydroxymethyl-glutaric acid

> <SYSTEMATIC_NAME>
3-(hydroxy-methyl)-pentanedioic acid

> <FORMULA>
C6H10O5

> <MASS>
162.05

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Dicarboxylic acids [FA0117]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
IEPDKRIDROAXQP-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C6H10O5/c7-3-4(1-5(8)9)2-6(10)11/h4,7H,1-3H2,(H,8,9)(H,10,11)

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

> <KEGG_ID>
-

> <HMDB_ID>
HMDB00355

> <CHEBI_ID>
138367

> <ABBREVIATION>
FA 6:1;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10329583

> <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>
-

$$$$