LMGL04010021
  LIPID_MAPS_STRUCTURE_DATABASE

 38 38  0     0  0            999 V2000
   21.5661    8.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7239    9.4130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0533    8.0854    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.0795    8.0854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.4091    9.4143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8773    8.9233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.0302    9.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0295   10.3898    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1836    8.9225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3354    9.4086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4863    8.9229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6378    9.4086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7890    8.9229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9403    9.4086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0917    8.9229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2428    9.4086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3942    8.9229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5454    9.4086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6965    8.9229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8476    9.4086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9990    8.9229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1503    9.4086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3013    8.9229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0465   11.0166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9469   10.4968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9469    9.4571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0465    8.9373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.1463    9.4571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1463   10.4968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2459    8.9373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2459   11.0166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.8473   11.0166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.0465   12.0564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.8473    8.9373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.8473    7.8976    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   27.7478    7.3777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.9469    7.3777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.8567    6.9099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  1  4  1  6     0  0
  1  3  1  1     0  0
  5  1  1  0     0  0
  2  6  1  0     0  0
  6  7  1  0     0  0
  7  9  1  0     0  0
  7  8  2  0     0  0
  9 10  1  0     0  0
 10 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14 15  1  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
 17 18  1  0     0  0
 18 19  1  0     0  0
 19 20  1  0     0  0
 20 21  1  0     0  0
 21 22  1  0     0  0
 22 23  1  0     0  0
 24 25  1  0     0  0
 25 26  1  0     0  0
 26 27  1  0     0  0
 27 28  1  0     0  0
 28 29  1  0     0  0
 29 24  1  0     0  0
 28 30  1  6     0  0
 29 31  1  6     0  0
 25 32  1  6     0  0
 24 33  1  1     0  0
 26 34  1  1     0  0
 34 35  1  0     0  0
 35 36  2  0     0  0
 35 37  2  0     0  0
 35 38  1  0     0  0
  5 30  1  0     0  0
M  END
> <LM_ID>
LMGL04010021

> <COMMON_NAME>
SQMG(16:0/0:0)

> <SYSTEMATIC_NAME>
1-hexadecanoyl-3-(6'-sulfo-alpha-D-quinovosyl)-sn-glycerol

> <FORMULA>
C25H48O11S

> <MASS>
556.29

> <CATEGORY>
Glycerolipids [GL]

> <MAIN_CLASS>
Glycosylmonoradylglycerols [GL04]

> <SUB_CLASS>
Glycosylmonoacylglycerols [GL0401]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(2S)-1-palmitoyl-3-O-(6-sulfo-a-D-quinovopyranosyl)-glycerol

> <INCHI_KEY>
PVPLOFLVMFDWJG-BIKTWNJESA-N

> <INCHI>
InChI=1S/C25H48O11S/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/h19-20,22-26,28-30H,2-18H2,1H3,(H,31,32,33)/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)CCCCCCCCCCCCCCC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
SQMG 16:0

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
101560606

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
3120; 4043

> <CITATION>
28657161

$$$$