LMSP01080018
  LIPID_MAPS_STRUCTURE_DATABASE

 29 29  0  0  0  0  0  0  0  0999 V2000
    5.0110   -5.7529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8868   -6.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7626   -5.7529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6384   -6.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5141   -5.7529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3899   -6.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2655   -5.7529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1412   -6.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0170   -5.7529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8927   -6.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7686   -5.7529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6443   -6.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5201   -5.7529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3958   -6.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1841   -5.8467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1582   -6.4091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1323   -5.8467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1064   -6.4091    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1582   -7.3237    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.1841   -5.0027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1353   -6.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2595   -5.7529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1487   -7.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3706   -7.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8990   -7.7770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5588   -7.8386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3308   -7.8014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3308   -8.8014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4648   -7.3014    0.0000 C   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  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  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 18  1  0  0  0  0
 16 19  1  6  0  0  0
 15 20  2  0  0  0  0
  1 21  1  0  0  0  0
 21 22  1  0  0  0  0
  2 23  2  0  0  0  0
  4 24  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 23 26  1  0  0  0  0
 19 27  1  0  0  0  0
 27 28  2  0     0  0
 27 29  1  0     0  0
M  END
> <LM_ID>
LMSP01080018

> <COMMON_NAME>
Calicogorgin A

> <SYSTEMATIC_NAME>
N-[(2S)-13-(3,4-dimethyl-5-propylfuran-2-yl)-1-hydroxy-3-oxotridecan-2-yl]acetamide

> <FORMULA>
C24H41NO4

> <MASS>
407.30

> <CATEGORY>
Sphingolipids [SP]

> <MAIN_CLASS>
Sphingoid bases [SP01]

> <SUB_CLASS>
Sphingoid base analogs [SP0108]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
YPJUZEMVAYYXAV-NRFANRHFSA-N

> <INCHI>
InChI=1S/C24H41NO4/c1-5-14-23-18(2)19(3)24(29-23)16-13-11-9-7-6-8-10-12-15-22(28)21(17-26)25-20(4)27/h21,26H,5-17H2,1-4H3,(H,25,27)/t21-/m0/s1

> <SMILES>
C(CC)C1=C(C)C(C)=C(CCCCCCCCCCC(=O)[C@@H](NC(C)=O)CO)O1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10431543

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
58797

> <CITATION>
-

$$$$