LMFA01170073
  LIPID_MAPS_STRUCTURE_DATABASE

 16 15  0  0  0  0  0  0  0  0999 V2000
    6.9868    7.7233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9906    8.5460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7034    7.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2740    7.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5243    9.2437    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6996    6.4873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2740    6.4873    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8010   10.0322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7167    9.2398    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4162    6.0740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3271   10.7071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6238   10.0247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1290    6.4873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4162    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8455    6.0740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1290    7.3101    0.0000 O   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
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  6  0  0  0
  6 10  2  0  0  0  0
  8 11  1  0  0  0  0
  8 12  2  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
M  END
> <LM_ID>
LMFA01170073

> <COMMON_NAME>
5-(L-alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde

> <SYSTEMATIC_NAME>
(2E,4Z,7S)-7-amino-5-formyl-2-hydroxyocta-2,4-dienedioic acid

> <FORMULA>
C9H11NO6

> <MASS>
229.06

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Dicarboxylic acids [FA0117]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
5-(L-Alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde

> <INCHI_KEY>
OAPFPZKGGMKELA-WEBQFGJISA-N

> <INCHI>
InChI=1S/C9H11NO6/c10-6(8(13)14)3-5(4-11)1-2-7(12)9(15)16/h1-2,4,6,12H,3,10H2,(H,13,14)(H,15,16)/b5-1-,7-2+/t6-/m0/s1

> <SMILES>
C(/C=O)(=C/C=C(/O)\C(=O)O)\C[C@H](N)C(=O)O

> <KEGG_ID>
C04797

> <HMDB_ID>
-

> <CHEBI_ID>
17671

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5280732

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]; Fatty Acyls [FA]; Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Unsaturated fatty acids [FA0103]; Hydroxy fatty acids [FA0105]; Amino fatty acids [FA0110]

> <ALT_CLASS_LEVEL4S>
-; -; -

> <TAXONOMY>
-

> <CITATION>
-

$$$$