LMFA01090028
  LIPID_MAPS_STRUCTURE_DATABASE

  7  6  0     0  0            999 V2000
    8.9011    6.9033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8407    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9011    7.7721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9545    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0075    6.9032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0075    7.6754    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  6  0  0  0
M  END
> <LM_ID>
LMFA01090028

> <COMMON_NAME>
3S-bromobutanoic acid

> <SYSTEMATIC_NAME>
3S-bromobutanoic acid

> <FORMULA>
C4H7O2Br

> <MASS>
165.96

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Halogenated fatty acids [FA0109]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Butanoic acid, 3-bromo-, (S)-; (S)-(+)-3-Bromobutanoic acid; (S)-(+)-3-Bromobutyric acid

> <INCHI_KEY>
HAIUIAZIUDPZIE-VKHMYHEASA-N

> <INCHI>
InChI=1S/C4H7BrO2/c1-3(5)2-4(6)7/h3H,2H2,1H3,(H,6,7)/t3-/m0/s1

> <SMILES>
C(C[C@@H](Br)C)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
637089

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
32630

> <CITATION>
-

$$$$