LMPR0104010044
  LIPID_MAPS_STRUCTURE_DATABASE

 30 29  0  0  0  0  0  0  0  0999 V2000
   15.8740   -5.6992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8174   -6.3590    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.9112   -4.8061    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0226   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1707   -5.6994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3188   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4671   -5.6994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6154   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7635   -5.6994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9116   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0599   -5.6994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2081   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3562   -5.6994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5046   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6527   -5.6994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8009   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9491   -5.6994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0973   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1707   -4.6329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7627   -4.6329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3562   -4.6329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9120   -4.6698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7234   -5.9358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5429   -6.5090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4490   -6.0858    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   20.2685   -6.6589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.5355   -5.0895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3624   -7.0821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4670   -4.6994    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0750   -5.2136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  1  3  2  0     0  0
  1  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  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
  5 19  2  0     0  0
  9 20  1  1     0  0
 13 21  1  1     0  0
 17 22  1  0     0  0
  2 23  1  0     0  0
 23 24  1  0     0  0
 24 25  1  0     0  0
 25 26  1  0     0  0
 25 27  2  0     0  0
 25 28  2  0     0  0
  7 29  1  0     0  0
 17 30  1  0     0  0
M  END
> <LM_ID>
LMPR0104010044

> <COMMON_NAME>
Copepodamide H

> <SYSTEMATIC_NAME>
5,15-dihydroxy-7R,11S,15-trimethyl-3-methylidene-hexadecanoylaminoethanesulfonic acid

> <FORMULA>
C22H43NO6S

> <MASS>
449.28

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

> <SUB_CLASS>
C20 isoprenoids (diterpenes) [PR0104]

> <CLASS_LEVEL4>
Acyclic diterpenoids [PR010401]

> <SYNONYMS>


> <INCHI_KEY>
PYVBWBXBGDEPSX-IVAAQHKWSA-N

> <INCHI>
InChI=1S/C22H43NO6S/c1-17(10-7-11-22(4,5)26)8-6-9-18(2)14-20(24)15-19(3)16-21(25)23-12-13-30(27,28)29/h17-18,20,24,26H,3,6-16H2,1-2,4-5H3,(H,23,25)(H,27,28,29)/t17-,18+,20?/m0/s1

> <SMILES>
C(CC(=C)CC(O)C[C@H](C)CCC[C@H](C)CCCC(O)(C)C)(=O)NCCS(=O)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
122374818

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
463189

> <CITATION>
25918403

$$$$