LMFA13010059
  LIPID_MAPS_STRUCTURE_DATABASE

 23 23  0  0  0  0            999 V2000
    8.2820   -7.1769    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7027   -8.0099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7051   -5.5302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9946   -6.7701    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.9946   -5.9405    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.7051   -7.1894    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.4249   -6.7701    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.4249   -5.9405    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.2840   -5.5302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2840   -4.7054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1378   -8.0040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8530   -8.4150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1362   -7.1789    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4241   -8.4178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1382   -5.5260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1358   -4.7010    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.8492   -4.2866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8469   -3.4616    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5648   -4.6971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4203   -4.2905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4180   -3.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7023   -3.0550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1314   -3.0510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 11 14  2  0  0  0  0
 11 12  1  0  0  0  0
 13 11  1  0  0  0  0
  9 10  1  0  0  0  0
  5  9  1  1  0  0  0
  4  1  1  6  0  0  0
  6  2  1  1  0  0  0
  7 13  1  6  0  0  0
  3  5  1  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 15  1  6  0  0  0
 16 15  1  1  0  0  0
 18 17  2  0  0  0  0
 19 17  1  0  0  0  0
 16 17  1  0  0  0  0
 16 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 21  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
> <LM_ID>
LMFA13010059

> <COMMON_NAME>
(S)-malyl N-acetyl-alpha-D-glucosaminide

> <SYSTEMATIC_NAME>
(2S)-2-[(2-acetamido-2-deoxy-alpha-D-glucopyranosyl)oxy]butanedioic acid

> <FORMULA>
C12H19NO10

> <MASS>
337.10

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty acyl glycosides [FA13]

> <SUB_CLASS>
Fatty acyl glycosides of mono- and disaccharides [FA1301]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(2S)-2-[(2-acetamido-2-deoxy-alpha-D-glucopyranosyl)oxy]succinic acid;GlcNAc-Mal;alpha-D-GlcNAc-L-Mal;malyl-N-acetyl-D-glucosamine

> <INCHI_KEY>
COBMRTSHZAUOCY-BVKYVCSXSA-N

> <INCHI>
InChI=1S/C12H19NO10/c1-4(15)13-8-10(19)9(18)6(3-14)23-12(8)22-5(11(20)21)2-7(16)17/h5-6,8-10,12,14,18-19H,2-3H2,1H3,(H,13,15)(H,16,17)(H,20,21)/t5-,6+,8+,9+,10+,12-/m0/s1

> <SMILES>
O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H](CC(O)=O)C(O)=O)O[C@@H]1CO)NC(C)=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
64882

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
57339291

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$