LMFA05000775
  LIPID_MAPS_STRUCTURE_DATABASE

 22 21  0     0  0            999 V2000
   -0.4334   -0.2503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3069    0.2502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1806    0.7509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0542    0.7509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9280    0.2503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8017    0.7509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6754    0.2503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5491    0.7509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4228    0.2503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2965    0.7509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1703    0.2503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0439    0.7509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9177    0.2503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7915    0.7509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6652    0.2503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.5390    0.7509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.4125    0.2503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.2863    0.7509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.1601    0.2503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.0337    0.7509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9280   -0.7509    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -16.1601   -0.7497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  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
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
  5 21  1  1  0  0  0
 19 22  1  0     0  0
M  END
> <LM_ID>
LMFA05000775

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
(5S)-19-methyleicos-(3Z)-en-1-yn-5-ol

> <FORMULA>
C21H38O

> <MASS>
306.29

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty alcohols [FA05]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
QVVZWDPMUWFKLC-OJADOOIQSA-N

> <INCHI>
InChI=1S/C21H38O/c1-4-5-18-21(22)19-16-14-12-10-8-6-7-9-11-13-15-17-20(2)3/h1,5,18,20-22H,6-17,19H2,2-3H3/b18-5-/t21-/m1/s1

> <SMILES>
C#C/C=C\[C@@H](O)CCCCCCCCCCCCCC(C)C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FOH 21:3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171118599

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
459969

> <CITATION>
35447938

$$$$