LMGL04010002
  LIPID_MAPS_STRUCTURE_DATABASE

 38 38  0     0  0            999 V2000
   20.4161    7.1530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6235    7.6094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8741    6.3607    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.9579    6.3607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.2087    7.6106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8273    7.1490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0304    7.6084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0299    8.5283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2341    7.1482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4362    7.6053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6375    7.1484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8392    7.6053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0407    7.1484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2424    7.6053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4441    7.1484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6457    7.6053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8474    7.6053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0489    7.1484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2505    7.6053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4520    7.1484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6556    7.6084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8570    7.1515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0607    7.6115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0013    7.1530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.0014    8.8867    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.0031    8.8866    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.9993    7.1559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.5021    6.2866    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.4292    4.6000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   22.9992    7.1547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4994    8.0213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5029    8.0199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0008    7.1547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5006    6.2881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.9986    5.4226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6013    5.1152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.9417    4.0552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.9792    3.9132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  4  1  6  0  0  0
  1  3  1  1  0  0  0
  5  1  1  0  0  0  0
 24  5  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  9  1  0  0  0  0
  7  8  2  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  2  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  1  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>
LMGL04010002

> <COMMON_NAME>
SQMG(16:1(9Z)/0:0)

> <SYSTEMATIC_NAME>
1-(9Z-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>
OGARSMGVMPSJRA-UUVKLZRASA-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/h7-8,19-20,22-26,28-30H,2-6,9-18H2,1H3,(H,31,32,33)/b8-7-/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(=O)CCCCCCC/C=C\CCCCCC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
LSQMG 16:1

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42607385

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
2829

> <CITATION>
9358437

$$$$