LMFA03020093
  LIPID_MAPS_STRUCTURE_DATABASE

 23 22  0  0  0  0  0  0  0  0999 V2000
   12.2015   -5.9555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8226   -4.5018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7774   -5.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7324   -4.5018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6868   -5.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6419   -4.5018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5966   -5.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5513   -4.5018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5061   -5.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6859   -6.3600    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.4642   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4634   -3.6661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3405   -5.0915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6812   -3.6390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5297   -5.9282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4068   -6.3940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1452   -6.5253    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.0999   -5.9741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9994   -6.4978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7059   -6.0568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2015   -5.2637    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4068   -7.2212    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.9994   -7.1660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
  5 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
  6 14  1  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16  1  1  0  0  0  0
  1 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
  1 21  2  0  0  0  0
 16 22  1  1  0  0  0
 19 23  1  0  0  0  0
M  END
> <LM_ID>
LMFA03020093

> <COMMON_NAME>
Pseudo-LTD

> <SYSTEMATIC_NAME>
5,8-dihydroxy-6-(S-cysteinylglycinyl)-octanoic acid

> <FORMULA>
C13H24N2O7S

> <MASS>
352.13

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Leukotrienes [FA0302]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
LVXBRRSRPUAGFM-IDKOKCKLSA-N

> <INCHI>
InChI=1S/C13H24N2O7S/c14-8(13(22)15-6-12(20)21)7-23-10(4-5-16)9(17)2-1-3-11(18)19/h8-10,16-17H,1-7,14H2,(H,15,22)(H,18,19)(H,20,21)/t8-,9?,10?/m0/s1

> <SMILES>
C(=O)(NCC(O)=O)[C@@H](N)CSC(C(O)CCCC(O)=O)CCO

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
-

> <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>
9606

> <CITATION>
41101738

$$$$