LMGL04010007
  LIPID_MAPS_STRUCTURE_DATABASE

 38 38  0     0  0            999 V2000
   19.3744    8.5320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5817    8.9883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7888    8.5320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.8326    7.7391    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.1675    8.9898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9163    7.7391    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0897    7.2727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0897    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3011    7.7286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5059    7.2728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7112    7.7287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9164    7.2728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1215    7.7287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3268    7.2728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5319    7.7287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7373    7.2728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9425    7.7287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1478    7.2728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3549    7.7309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5619    7.2728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6465    7.2728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8533    7.7306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.2728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9605    8.5320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.9826   10.2674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.9843   10.2673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.9806    8.5366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.4833    7.6673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.4105    5.9807    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   21.9804    8.5354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4807    9.4020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4841    9.4006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.9821    8.5353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4818    7.6687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.9799    6.8033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5824    6.4958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.9230    5.4358    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.9605    5.2938    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
  1  6  1  6  0  0  0
  1  4  1  1  0  0  0
  5  1  1  0  0  0  0
 24  5  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  7  6  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 23 22  1  0  0  0  0
 29 35  1  0     0  0
 34 28  1  0     0  0
 28 30  1  0     0  0
 30 31  1  0     0  0
 31 32  1  0     0  0
 32 33  1  0     0  0
 33 34  1  0     0  0
 34 35  1  1     0  0
 31 25  1  6     0  0
 32 26  1  1     0  0
 33 27  1  6     0  0
 29 36  2  0     0  0
 29 37  2  0     0  0
 29 38  1  0     0  0
 30 24  1  6     0  0
M  END
> <LM_ID>
LMGL04010007

> <COMMON_NAME>
SQMG(0:0/16:1(13Z))

> <SYSTEMATIC_NAME>
2-(13Z-hexadecenoyl)-3-(6'-sulfo-alpha-D-quinovosyl)-sn-glycerol

> <FORMULA>
C25H46O11S

> <MASS>
554.28

> <CATEGORY>
Glycerolipids [GL]

> <MAIN_CLASS>
Glycosylmonoradylglycerols [GL04]

> <SUB_CLASS>
Glycosylmonoacylglycerols [GL0401]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
sulfoquinovosylmonoacylglycerols; SQMG(0:0/16:1)

> <INCHI_KEY>
WNGZXRFFGFFGPU-MZZKTLHASA-N

> <INCHI>
InChI=1S/C25H46O11S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(27)35-19(16-26)17-34-25-24(30)23(29)22(28)20(36-25)18-37(31,32)33/h3-4,19-20,22-26,28-30H,2,5-18H2,1H3,(H,31,32,33)/b4-3-/t19-,20-,22-,23+,24-,25+/m1/s1

> <SMILES>
[C@](CO[C@@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CS(O)(=O)=O)O1)([H])(OC(CCCCCCCCCCC/C=C\CC)=O)CO

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
LSQMG 16:1

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42607395

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
2829

> <CITATION>
9358437

$$$$