LMGL04010004
  LIPID_MAPS_STRUCTURE_DATABASE

 38 38  0     0  0            999 V2000
   20.3984    7.1567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6023    7.6150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8058    7.1567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0097    7.6150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0097    8.5355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.8585    6.3606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.9380    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2137    7.1567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4172    7.6150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6211    7.1567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8247    7.6150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0283    7.1567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2323    7.6150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4360    7.1567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6397    7.6150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8434    7.1567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0471    7.6150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1947    7.6165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2511    7.1567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4529    7.6134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6548    7.6134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8568    7.1567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.6150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9911    7.1567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.9764    8.8867    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.9781    8.8866    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.9744    7.1559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.4771    6.2866    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.4043    4.6000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   22.9742    7.1547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4745    8.0213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4779    8.0199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.9759    7.1547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4756    6.2881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.9736    5.4226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5763    5.1152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.9168    4.0552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.9542    3.9132    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  2  0  0  0  0
  4  8  1  0  0  0  0
  8  9  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 19  1  0  0  0  0
  1  7  1  6  0  0  0
  1  6  1  1  0  0  0
 18  1  1  0  0  0  0
 24 18  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
 22 23  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>
LMGL04010004

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

> <SYSTEMATIC_NAME>
1-(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(16:1/0:0)

> <INCHI_KEY>
WPFJBIZXTPFCFW-MZZKTLHASA-N

> <INCHI>
InChI=1S/C25H46O11S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(27)34-16-19(26)17-35-25-24(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])(O)COC(CCCCCCCCCCC/C=C\CC)=O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
LSQMG 16:1

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
178328761

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
2829

> <CITATION>
9358437

$$$$